Geometry & MOs

Info

ID:	135753
PubChem CID:	51928180
Reduced:	ClN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	334.135114
ΔH_f, kcal/mol:	-113.04
Dipole, Da:	2.72
IP(EA), eV:	-8.5(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethoxyphenyl)-3-[(1S)-2-methyl-1-thiophen-2-ylpropyl]urea

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)NC1=CC2=C(C=C1Cl)OCO2

DOS

IR

Vibrations