Geometry & MOs

Info

ID:

44720

PubChem CID:

10505544

Reduced:

FN2O7C26H29 (1)

Stoich.:

AB2C7D26E29 (1)

Weight, g/mol:

500.234745

ΔHf, kcal/mol:

-306.2

Dipole, Da:

3.89

IP(EA), eV:

 -8.66(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-cyano-4-[5-[[N-cyano-N'-(3,3-dimethylbutan-2-yl)carbamimidoyl]amino]-2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C1=CN(C2=CN=C(C=C21)OCC3=CC=CC=C3)C(=O)OC(C)(C)C)OC(=O)C)F

DOS

IR

Vibrations