Geometry & MOs

Info

ID:	233909
PubChem CID:	92192381
Reduced:	ClON2S2C18H21 (1)
Stoich.:	ABC2D2E18F21 (1)
Weight, g/mol:	360.187149
ΔH_f, kcal/mol:	-0.83
Dipole, Da:	5.68
IP(EA), eV:	-8.58(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxyphenyl)-1-(3-methylbutyl)-1-[(1R)-1-thiophen-2-ylethyl]urea

Drug info:

PubChemData

Smile

C[C@@H](CNC(=S)NC1=CC=CC=C1OC)CSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations