Geometry & MOs

Info

ID:	146834
PubChem CID:	53756325
Reduced:	NOC22H23 (1)
Stoich.:	ABC22D23 (1)
Weight, g/mol:	418.135114
ΔH_f, kcal/mol:	40.22
Dipole, Da:	3.01
IP(EA), eV:	-8.37(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-benzhydryl (2R)-2-acetamido-4-oxo-4-pyridin-3-ylbutanethioate

Drug info:

PubChemData

Smile

CN(CC=CC1=CC=CC=C1)CC2=C(C=CC3=CC=CC=C32)OC

DOS

IR

Vibrations