Geometry & MOs

Info

ID:	186472
PubChem CID:	77438597
Reduced:	SF3N5H20C21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	496.211055
ΔH_f, kcal/mol:	-53.3
Dipole, Da:	5.18
IP(EA), eV:	-8.61(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)amino]-1-oxo-4-phenylbutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(CN2C=C(SC2N)C3=CC4=CN=NC=C4C=C3)N)C(F)(F)F

DOS

IR

Vibrations