Geometry & MOs

Info

ID:	149977
PubChem CID:	53789660
Reduced:	N3O4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	421.084967
ΔH_f, kcal/mol:	-89.07
Dipole, Da:	3.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774065
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[[5-[4-(trifluoromethyl)phenyl]pyridin-2-yl]carbamoyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N[N+](=CNCC(=O)O)C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations