Geometry & MOs

Info

ID:	427982
PubChem CID:	135165623
Reduced:	ClO4N7C42H52 (1)
Stoich.:	AB4C7D42E52 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-132.34
Dipole, Da:	8.88
IP(EA), eV:	-8.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2R)-1-sulfanylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC3=C(N2C)CCN(C3)C)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCC(CCC6)CC7CCC(CC7)(C)C(=O)O)Cl

DOS

IR

Vibrations