Geometry & MOs

Info

ID:	200235
PubChem CID:	79369010
Reduced:	N2O3C9H16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	376.99326
ΔH_f, kcal/mol:	-147.42
Dipole, Da:	7.86
IP(EA), eV:	-9.38(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-methoxyphenyl)sulfonyl-2-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CCN1C(C)C(=O)N)C(=O)O

DOS

IR

Vibrations