Geometry & MOs

Info

ID:

167448

PubChem CID:

74829359

Reduced:

N4O4C35H44 (1)

Stoich.:

A4B4C35D44 (1)

Weight, g/mol:

836.390617

ΔHf, kcal/mol:

-110.59

Dipole, Da:

1.93

IP(EA), eV:

 -7.49(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-5-[1-[2-[(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methylamino]-4-phenyl-1,3-thiazol-5-yl]ethyl]-4-phenyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCC1C(=C2C=C3C(C(C(N3)C4=C5C(=C(C(=CC6=C(C(=C(N6)C=C1N2)C)CC)N5)C)C(C4C(=O)OC)O)CCC=O)C)C

DOS

IR

Vibrations