Geometry & MOs

Info

ID:	404082
PubChem CID:	135064941
Reduced:	NO3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	526.140987
ΔH_f, kcal/mol:	-146.79
Dipole, Da:	4.05
IP(EA), eV:	-9.29(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-2-(4-nitrophenyl)sulfonyl-5-phenyl-3-(phenylmethoxycarbonylamino)pentanoate

Drug info:

PubChemData

Smile

CC[C@@H](C=O)[C@@H](CCC1=CC=CC=C1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations