Geometry & MOs

Info

ID:	81896
PubChem CID:	49855320
Reduced:	FN6O8C23H29 (1)
Stoich.:	AB6C8D23E29 (1)
Weight, g/mol:	462.080491
ΔH_f, kcal/mol:	-299.43
Dipole, Da:	17.11
IP(EA), eV:	-9.17(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonyl-2-phenylbenzamide

Drug info:

PubChemData

Smile

C[C@]\1(CN(C/C1=N\OC)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)CN.C([C@@H](C(=O)O)N)C(=O)O

DOS

IR

Vibrations