Geometry & MOs

Info

ID:	148001
PubChem CID:	53787663
Reduced:	ClNO4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	437.187209
ΔH_f, kcal/mol:	-89.1
Dipole, Da:	1.99
IP(EA), eV:	-9.26(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-ethyl 3-O-methyl 4-cyclohexyl-6-[(3-methoxy-3-oxoprop-1-en-2-yl)sulfanylmethyl]-2-methyl-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(=NOC1=CC=CC=C1C(C(=O)OC)O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations