Geometry & MOs

Info

ID:

150939

PubChem CID:

53790636

Reduced:

N2O7C27H30 (1)

Stoich.:

A2B7C27D30 (1)

Weight, g/mol:

494.205301

ΔHf, kcal/mol:

-176.24

Dipole, Da:

4.8

IP(EA), eV:

 -9.74(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(1S)-1-methoxy-3-methyl-1-phenylbutan-2-yl]oxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC([C@@H](C3=CC=CC=C3)OC)C(C)C)C

DOS

IR

Vibrations