Geometry & MOs

Info

ID:	139786
PubChem CID:	52595260
Reduced:	O3N4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	442.129549
ΔH_f, kcal/mol:	-64.59
Dipole, Da:	8.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.886275
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-chlorophenoxy)phenyl]-3-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)NC[C@H](C2=CC(=CC=C2)OC)[NH+](C)C

DOS

IR

Vibrations