Geometry & MOs

Info

ID:	56525
PubChem CID:	17436079
Reduced:	OSF3N3H16C18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	469.0307
ΔH_f, kcal/mol:	-120.12
Dipole, Da:	10.12
IP(EA), eV:	-9.24(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(N=C1C)SC(C)C(=O)NC2=C(C(=C(C=C2)F)F)F)C#N)C

DOS

IR

Vibrations