Geometry & MOs

Info

ID:

148799

PubChem CID:

53788468

Reduced:

F2N4O9H32C34 (1)

Stoich.:

A2B4C9D32E34 (1)

Weight, g/mol:

633.216112

ΔHf, kcal/mol:

-289.8

Dipole, Da:

9.94

IP(EA), eV:

 -8.05(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC(=C(C(=C1)OC)OC2=C(C(=NC(=C2F)OC3=CC(=C(N)N)C=CC3=O)OC4=CC=CC(=C4)C(=O)N(C)C)F)OC

DOS

IR

Vibrations