Geometry & MOs

Info

ID:

433073

PubChem CID:

135173210

Reduced:

O12C29H48 (1)

Stoich.:

A12B29C48 (1)

Weight, g/mol:

430.236876

ΔHf, kcal/mol:

-624.15

Dipole, Da:

4.1

IP(EA), eV:

 -10.23(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[(9S)-9-[(3E,5Z)-3-methoxyhepta-1,3,5-trien-2-yl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1OC(=O)CCCCCCCCCCCC(CO)O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations