Geometry & MOs

Info

ID:	69514
PubChem CID:	47193689
Reduced:	OCl2N3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	347.965767
ΔH_f, kcal/mol:	-12.45
Dipole, Da:	3.06
IP(EA), eV:	-9.4(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chlorothiophen-2-yl)methyl]-3-(3,5-dichlorophenyl)-1-methylurea

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CCNC(=O)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations