Geometry & MOs

Info

ID:	69509
PubChem CID:	47193683
Reduced:	ClNOC7H7 (2)
Stoich.:	ABCD7E7 (2)
Weight, g/mol:	336.010219
ΔH_f, kcal/mol:	-53.1
Dipole, Da:	5.36
IP(EA), eV:	-9.28(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dichlorophenyl)-3-[(1,1-dioxothiolan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CCN(CC1=CC=CO1)C(=O)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations