Geometry & MOs

Info

ID:	235331
PubChem CID:	92309448
Reduced:	ClOSN3C21H22 (1)
Stoich.:	ABCD3E21F22 (1)
Weight, g/mol:	399.117211
ΔH_f, kcal/mol:	0.97
Dipole, Da:	4.37
IP(EA), eV:	-8.97(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-[(1R)-1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

C[C@@H](C1=C(SC2=C1CCCC2)N3C=CC=C3)NC(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations