Geometry & MOs

Info

ID:	162350
PubChem CID:	57394388
Reduced:	PN4O8C11H15 (1)
Stoich.:	AB4C8D11E15 (1)
Weight, g/mol:	609.338716
ΔH_f, kcal/mol:	-318.03
Dipole, Da:	10.34
IP(EA), eV:	-9.38(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S,3S)-1-[[(1E,2S)-1-(carbamoylhydrazinylidene)-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-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

C1=NC(=O)C2=C(N1)N(C=N2)CC(COCP(=O)(O)O)OCC(=O)O

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

C1=NC(=O)C2=C(N1)N(C=N2)CC(COCP(=O)(O)O)OCC(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):