Geometry & MOs

Info

ID:	150564
PubChem CID:	53790257
Reduced:	ClN2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	432.135508
ΔH_f, kcal/mol:	-74.94
Dipole, Da:	6.78
IP(EA), eV:	-8.49(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-ethyl 5-O-prop-2-enyl 6-methyl-2-(methylsulfanylmethyl)-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCC(=O)OC1=C(NC2=C1C=C(C=C2)Cl)C(=O)C3=NC=CC(=C3)C(C)(C)C

DOS

IR

Vibrations