Geometry & MOs

Info

ID:	43359
PubChem CID:	10321174
Reduced:	SF3N3O4C19H20 (1)
Stoich.:	AB3C3D4E19F20 (1)
Weight, g/mol:	443.165663
ΔH_f, kcal/mol:	-263.68
Dipole, Da:	7.98
IP(EA), eV:	-9.81(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(2S,6S)-7-oxo-2-phenyl-1,2,3,6-tetrahydroazepin-6-yl]propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=C(C=C1)C(C[C@H]2CCCO2)C(=O)NC3=NC=CN=C3)C(F)(F)F

DOS

IR

Vibrations