Geometry & MOs

Info

ID:	138426
PubChem CID:	52365183
Reduced:	OSN3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	59.41
Dipole, Da:	15.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.045994
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-cyclopropyl(phenyl)methyl]-3-(thiophen-2-ylmethyl)urea

Drug info:

PubChemData

Smile

C1C[NH+](CCC1NC(=O)C2=C(C=CS2)C3=CC=CC=C3)CC4=CC=CC=N4

DOS

IR

Vibrations