Geometry & MOs

Info

ID:	61168
PubChem CID:	26706548
Reduced:	O2N3C10H12 (2)
Stoich.:	A2B3C10D12 (2)
Weight, g/mol:	328.124549
ΔH_f, kcal/mol:	-127.43
Dipole, Da:	3.97
IP(EA), eV:	-8.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

DOS

IR

Vibrations