Geometry & MOs

Info

ID:	225301
PubChem CID:	85756452
Reduced:	O2N4H12C17 (1)
Stoich.:	A2B4C12D17 (1)
Weight, g/mol:	552.273004
ΔH_f, kcal/mol:	37.21
Dipole, Da:	8.78
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(diaminomethylideneamino)-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C3=CN=CO3)C#N

DOS

IR

Vibrations