Geometry & MOs

Info

ID:	125307
PubChem CID:	50919066
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	462.06128
ΔH_f, kcal/mol:	13.46
Dipole, Da:	2.73
IP(EA), eV:	-9.79(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide

Drug info:

PubChemData

Smile

C1CN1C2=CC(=O)[C@@H]3[C@H]4C[C@@H]([C@H]3C2=O)C=C4

DOS

IR

Vibrations