Geometry & MOs

Info

ID:	159258
PubChem CID:	57269347
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	423.143035
ΔH_f, kcal/mol:	-112.68
Dipole, Da:	3.13
IP(EA), eV:	-8.48(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-methyl 5-O-(pyridin-2-ylmethyl) (4S)-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(=O)CNC1=CC2=C(CCC2)C=C1)N

DOS

IR

Vibrations