Geometry & MOs

Info

ID:	179604
PubChem CID:	76509701
Reduced:	HNSC3 (2)
Stoich.:	ABCD3 (2)
Weight, g/mol:	476.242356
ΔH_f, kcal/mol:	132.87
Dipole, Da:	4.56
IP(EA), eV:	-9.6(-3.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[amino(naphthalen-1-yl)amino]-1-oxohexan-2-yl]-N-(2-aminopropanoyl)carbamate

Drug info:

PubChemData

Smile

C1=CC(=S)N=C(C1=S)C#N

DOS

IR

Vibrations