Geometry & MOs

Info

ID:	436406
PubChem CID:	135200340
Reduced:	ClOS2N3H10C11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	469.111457
ΔH_f, kcal/mol:	21.21
Dipole, Da:	4.87
IP(EA), eV:	-8.76(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-[(4-chlorophenyl)carbamoyl]-1-benzothiophen-2-yl]propanoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C(=O)NC3=NC=C(S3)Cl)N

DOS

IR

Vibrations