Geometry & MOs

Info

ID:	135013
PubChem CID:	51797041
Reduced:	ClN2O5C23H29 (1)
Stoich.:	AB2C5D23E29 (1)
Weight, g/mol:	515.158739
ΔH_f, kcal/mol:	-175.54
Dipole, Da:	7.17
IP(EA), eV:	-8.7(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC(=C(C=C1)OC)OC)N(C2=CC(=CC=C2)Cl)C(=O)COC

DOS

IR

Vibrations