Geometry & MOs

Info

ID:	83000
PubChem CID:	49856972
Reduced:	O5N6C17H24 (1)
Stoich.:	A5B6C17D24 (1)
Weight, g/mol:	330.103814
ΔH_f, kcal/mol:	-124.49
Dipole, Da:	5.74
IP(EA), eV:	-8.59(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-phenylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=CCNC1=C2C(=CN(C2=NC=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)/C(=N\O)/N)C

DOS

IR

Vibrations