Geometry & MOs

Info

ID:

148152

PubChem CID:

53787814

Reduced:

N3O7C25H33 (1)

Stoich.:

A3B7C25D33 (1)

Weight, g/mol:

487.23185

ΔHf, kcal/mol:

-218.44

Dipole, Da:

1.87

IP(EA), eV:

 -9.9(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[[(2R)-1-butoxy-3-methyl-1-oxobutan-2-yl]carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@@H](C(C)C)NC(=O)C1=C(N=C(C([C@@H]1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C

DOS

IR

Vibrations