Geometry & MOs

Info

ID:	338314
PubChem CID:	127259006
Reduced:	N5O6C17H23 (1)
Stoich.:	A5B6C17D23 (1)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	-180.18
Dipole, Da:	11.55
IP(EA), eV:	-9.97(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl] (2S)-2-aminopropanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C)C(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](C)C(=O)N)NC(=O)C

DOS

IR

Vibrations