Geometry & MOs

Info

ID:	340169
PubChem CID:	127262178
Reduced:	ClO3N4C21H33 (1)
Stoich.:	AB3C4D21E33 (1)
Weight, g/mol:	524.29987
ΔH_f, kcal/mol:	-134.77
Dipole, Da:	5.28
IP(EA), eV:	-9.27(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-1-[[(2S)-6-amino-1-oxohexan-2-yl]-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-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

CC(C)[C@@H](C(=O)N([C@@H](CCCCN)C(=O)CCl)[C@@H](CC1=CC=CC=C1)C(=O)N)N

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

CC(C)[C@@H](C(=O)N([C@@H](CCCCN)C(=O)CCl)[C@@H](CC1=CC=CC=C1)C(=O)N)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):