Geometry & MOs

Info

ID:	222559
PubChem CID:	85305518
Reduced:	NOSH19C24 (1)
Stoich.:	ABCD19E24 (1)
Weight, g/mol:	370.152872
ΔH_f, kcal/mol:	143.35
Dipole, Da:	6.32
IP(EA), eV:	-8.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=S)N(C4=CC=CC=C4C2=O)C

DOS

IR

Vibrations