Geometry & MOs

Info

ID:

445517

PubChem CID:

135267583

Reduced:

FO2N3H26C30 (1)

Stoich.:

AB2C3D26E30 (1)

Weight, g/mol:

545.268985

ΔHf, kcal/mol:

20.45

Dipole, Da:

8.31

IP(EA), eV:

 -8.41(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(4-fluorophenyl)-10-[(2E,4Z)-3-[[1-(hydroxymethyl)cyclobutyl]methylcarbamoyl]hexa-2,4-dienyl]-N,8-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C#C)NCC1=CC(=CC=C1)C2=C3C(=C4C(=C2)C(=C(O4)C5=CC=C(C=C5)F)C(=O)NC)C=CN3

DOS

IR

Vibrations