Geometry & MOs

Info

ID:	447721
PubChem CID:	135285113
Reduced:	SN6O6C25H34 (1)
Stoich.:	AB6C6D25E34 (1)
Weight, g/mol:	348.89782
ΔH_f, kcal/mol:	-140.68
Dipole, Da:	5.25
IP(EA), eV:	-9.19(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-iodo-6-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)[C@H]([C@@H](C)S(=O)(=O)NC2=NN=C(N2C3=C(C=CC=C3OC)OC)C4CCCO4)OC(C)C

DOS

IR

Vibrations