Geometry & MOs

Info

ID:

151069

PubChem CID:

53790766

Reduced:

FNO2C21H26 (1)

Stoich.:

ABC2D21E26 (1)

Weight, g/mol:

635.24545

ΔHf, kcal/mol:

-104.4

Dipole, Da:

3.82

IP(EA), eV:

 -9.01(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-O-[3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propyl] 3-O-methyl 6-methyl-4-(2-nitrophenyl)-2-(trifluoromethyl)-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCC=C(C#N)F

DOS

IR

Vibrations