Geometry & MOs

Info

ID:	140142
PubChem CID:	52653786
Reduced:	SN2O3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-85.42
Dipole, Da:	2.91
IP(EA), eV:	-8.32(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methyl-1-(2-phenoxyethyl)urea

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)NC(=O)[C@@]23CCC(=O)N2C4=CC=CC=C4S3

DOS

IR

Vibrations