Geometry & MOs

Info

ID:

163438

PubChem CID:

57955581

Reduced:

F2O2N7C27H37 (1)

Stoich.:

A2B2C7D27E37 (1)

Weight, g/mol:

571.271859

ΔHf, kcal/mol:

-132.28

Dipole, Da:

2.79

IP(EA), eV:

 -8.53(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(CN4C)(F)F)C5CCCC5)OC

DOS

IR

Vibrations