Geometry & MOs

Info

ID:	30429
PubChem CID:	841326
Reduced:	SN3O3H9C16 (1)
Stoich.:	AB3C3D9E16 (1)
Weight, g/mol:	327.993696
ΔH_f, kcal/mol:	19.95
Dipole, Da:	2.27
IP(EA), eV:	-8.95(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]urea

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N4C5=C(C=CC=N5)N=C4S3

DOS

IR

Vibrations