Geometry & MOs

Info

ID:	159196
PubChem CID:	57264360
Reduced:	ClN2S3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	459.042247
ΔH_f, kcal/mol:	87.46
Dipole, Da:	2.35
IP(EA), eV:	-8.31(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-2-hydroxy-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-3-(2-chlorophenyl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC2=NC3=C(SC(=C3)Cl)SN2

DOS

IR

Vibrations