Geometry & MOs

Info

ID:	137757
PubChem CID:	52258135
Reduced:	ClSO2N4C18H18 (1)
Stoich.:	ABC2D4E18F18 (1)
Weight, g/mol:	341.137556
ΔH_f, kcal/mol:	16.23
Dipole, Da:	8.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.178517
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyanophenyl)-3-[(2,3,4-trimethoxyphenyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=CC=CC=C2[N-]S(=O)(=O)C3=C(N(N=C3C)C)Cl

DOS

IR

Vibrations