Geometry & MOs

Info

ID:	47218
PubChem CID:	10530720
Reduced:	NSO7C30H33 (1)
Stoich.:	ABC7D30E33 (1)
Weight, g/mol:	551.299536
ΔH_f, kcal/mol:	-254.28
Dipole, Da:	9.01
IP(EA), eV:	-9.52(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,3S)-3-methyl-1-[[(2S,3S)-3-methyl-1-[[(2S)-1-[(2R)-oxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2C[C@@H](N(C2)C(=O)OC(C)(C)C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2C[C@@H](N(C2)C(=O)OC(C)(C)C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):