Geometry & MOs

Info

ID:	125010
PubChem CID:	50907272
Reduced:	ON2Cl4C30H36 (1)
Stoich.:	AB2C4D30E36 (1)
Weight, g/mol:	404.10823
ΔH_f, kcal/mol:	-41.1
Dipole, Da:	2.73
IP(EA), eV:	-8.29(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(CCCl)CCCl)/C=C\2/C(=O)/C(=C/C3=C(C=C(C=C3)N(CCCl)CCCl)C)/CCC2

DOS

IR

Vibrations