Geometry & MOs

Info

ID:	235339
PubChem CID:	92309472
Reduced:	OSN3C23H27 (1)
Stoich.:	ABC3D23E27 (1)
Weight, g/mol:	379.171834
ΔH_f, kcal/mol:	-3.95
Dipole, Da:	2.91
IP(EA), eV:	-8.5(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N[C@@H](C)C2=C(SC3=C2CCCC3)N4C=CC=C4)C

DOS

IR

Vibrations