Geometry & MOs

Info

ID:	402365
PubChem CID:	135055682
Reduced:	FN2O3H21C24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	381.194008
ΔH_f, kcal/mol:	-85.12
Dipole, Da:	5.39
IP(EA), eV:	-9.71(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-hydroxy-4-(4-methoxyphenyl)-6-phenyl-3,4-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)/N=C(/C[C@@H](C1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2)\C3=CC=CC=C3

DOS

IR

Vibrations