Geometry & MOs

Info

ID:	125027
PubChem CID:	50907694
Reduced:	NSO4H21C24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	453.080157
ΔH_f, kcal/mol:	-49.46
Dipole, Da:	3.59
IP(EA), eV:	-8.14(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C3=CC=CC=C3S2)NC4=CC=CC=C4

DOS

IR

Vibrations