Geometry & MOs

Info

ID:	60512
PubChem CID:	26697115
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	492.171893
ΔH_f, kcal/mol:	-41.13
Dipole, Da:	5.19
IP(EA), eV:	-8.56(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxyphenyl]-N-(4-ethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CO/N=C\C2=CC=C(C=C2)OC

DOS

IR

Vibrations