Geometry & MOs

Info

ID:	17676
PubChem CID:	511481
Reduced:	SCl3N5O5H12C16 (1)
Stoich.:	AB3C5D5E12F16 (1)
Weight, g/mol:	490.962473
ΔH_f, kcal/mol:	4.72
Dipole, Da:	5.23
IP(EA), eV:	-9.45(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-N'-[2,2,2-trichloro-1-[(3,5-dinitrobenzoyl)amino]ethyl]carbamimidothioic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])S

DOS

IR

Vibrations