Geometry & MOs

Info

ID:	139982
PubChem CID:	52626466
Reduced:	SN3O3C22H35 (1)
Stoich.:	AB3C3D22E35 (1)
Weight, g/mol:	391.171834
ΔH_f, kcal/mol:	-123.39
Dipole, Da:	2.55
IP(EA), eV:	-8.37(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-phenyl(thiophen-2-yl)methyl]-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea

Drug info:

PubChemData

Smile

CN1CCN([C@@H](C1)C2=CC=CC=C2)CCCNC(=O)CCS(=O)(=O)C3CCCC3

DOS

IR

Vibrations