Geometry & MOs

Info

ID:	235330
PubChem CID:	92309443
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	399.117211
ΔH_f, kcal/mol:	-149.5
Dipole, Da:	5.05
IP(EA), eV:	-9.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)C(=O)CCCC(=O)N2C3=C(C=C(C=C3)C)C=N2

DOS

IR

Vibrations