Geometry & MOs

Info

ID:	403607
PubChem CID:	135060941
Reduced:	OC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	569.169451
ΔH_f, kcal/mol:	-58.87
Dipole, Da:	2.36
IP(EA), eV:	-9.1(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,6S)-6-benzyl-1-(4-methylphenyl)sulfonyl-5-phenyl-4-(thiophene-2-carbonyl)-3,6-dihydro-2H-pyridin-3-yl]propan-2-one

Drug info:

PubChemData

Smile

CCCCC1=CC(C2=CC=CC=C21)(CC=C)OC(=O)C

DOS

IR

Vibrations