Geometry & MOs

Info

ID:	139797
PubChem CID:	52596615
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	449.162057
ΔH_f, kcal/mol:	-144.68
Dipole, Da:	8.95
IP(EA), eV:	-8.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NC(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3CC3)OC

DOS

IR

Vibrations