Geometry & MOs

Info

ID:	135190
PubChem CID:	51831666
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	514.109599
ΔH_f, kcal/mol:	-77.49
Dipole, Da:	8.91
IP(EA), eV:	-9.65(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[tert-butyl-(2-methoxyacetyl)amino]-2-(2,6-dichlorophenyl)-N-[(4-methylphenyl)sulfonylmethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](C(=O)NC(C)(C)C)N(C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(C)(C)C

DOS

IR

Vibrations