Geometry & MOs

Info

ID:	125029
PubChem CID:	50907696
Reduced:	NSO4H23C25 (1)
Stoich.:	ABC4D23E25 (1)
Weight, g/mol:	449.129694
ΔH_f, kcal/mol:	-64.99
Dipole, Da:	5.87
IP(EA), eV:	-8.06(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=C(SC3=CC=CC=C32)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations