Geometry & MOs

Info

ID:	68347
PubChem CID:	46508229
Reduced:	ClNSO5C19H20 (1)
Stoich.:	ABCD5E19F20 (1)
Weight, g/mol:	452.956542
ΔH_f, kcal/mol:	-175.82
Dipole, Da:	5.11
IP(EA), eV:	-8.98(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-amino-3,5,6-trichloropyridine-2-carbonyl)amino]-3-(2-chloro-4,6-dimethylphenyl)thiourea

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)OCC1=CC2=C(C(=C1)Cl)OCCCO2)C3=CC=CS3

DOS

IR

Vibrations