Geometry & MOs

Info

ID:	61165
PubChem CID:	26706519
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	406.03506
ΔH_f, kcal/mol:	-185.08
Dipole, Da:	8.23
IP(EA), eV:	-9.22(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-N-[(2R)-butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3C[C@@H](O[C@H](C3)C)C

DOS

IR

Vibrations