Geometry & MOs

Info

ID:	65346
PubChem CID:	29214743
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	494.121311
ΔH_f, kcal/mol:	-17.98
Dipole, Da:	3.71
IP(EA), eV:	-8.74(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-[[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)COC1=CC=CC=C1CC2=CC=CC=C2

DOS

IR

Vibrations