Geometry & MOs

Info

ID:	401423
PubChem CID:	135051227
Reduced:	KSN3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	376.86379
ΔH_f, kcal/mol:	28.49
Dipole, Da:	7.35
IP(EA), eV:	-7.81(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloro-N-(4-iodophenyl)-N-methylacetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N=C(NC#N)[S-].[K+]

DOS

IR

Vibrations