Geometry & MOs

Info

ID:

168881

PubChem CID:

75034889

Reduced:

O4N7C27H41 (1)

Stoich.:

A4B7C27D41 (1)

Weight, g/mol:

616.326085

ΔHf, kcal/mol:

-99.02

Dipole, Da:

4.44

IP(EA), eV:

 -8.62(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[[benzoyl(methyl)amino]methyl]-12-(1-hydroxypropan-2-yl)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CN3C=NN=N3)OC1CN(C)CC4CCCCC4)C(C)CO

DOS

IR

Vibrations