Geometry & MOs

Info

ID:	125030
PubChem CID:	50907697
Reduced:	NSO5H23C25 (1)
Stoich.:	ABC5D23E25 (1)
Weight, g/mol:	463.145344
ΔH_f, kcal/mol:	-97.85
Dipole, Da:	4.57
IP(EA), eV:	-7.95(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-ethoxyanilino)-1-benzothiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=C(SC3=CC=CC=C32)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations