Geometry & MOs

Info

ID:	302736
PubChem CID:	124393964
Reduced:	BrN2O5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	364.109293
ΔH_f, kcal/mol:	-116.17
Dipole, Da:	4.66
IP(EA), eV:	-9.12(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-phenylpropanamide

Drug info:

PubChemData

Smile

CC[C@H](C)OC1=C(C=C(C=C1Br)/C=C(/C#N)\C(=O)NC2=CC=CC(=C2)C(=O)O)OC

DOS

IR

Vibrations