Geometry & MOs

Info

ID:	64060
PubChem CID:	29195926
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	285.118735
ΔH_f, kcal/mol:	-9.54
Dipole, Da:	6.0
IP(EA), eV:	-8.72(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(2R)-butan-2-yl]-3-(5-phenylthiophen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CN(N=C1C2=CC=CC=C2OC)CC3=CC=CC=C3

DOS

IR

Vibrations