Geometry & MOs

Info

ID:	163353
PubChem CID:	57834423
Reduced:	SN4F5H21C22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	483.252192
ΔH_f, kcal/mol:	-194.84
Dipole, Da:	0.73
IP(EA), eV:	-8.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-3-(piperidin-1-ylmethyl)-N-(2,2,4-trimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC=CC(=C2)C3=C(NC(=N3)SCC(F)(F)F)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations