Geometry & MOs

Info

ID:

186780

PubChem CID:

77481470

Reduced:

FO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

612.241784

ΔHf, kcal/mol:

-214.74

Dipole, Da:

8.08

IP(EA), eV:

 -8.34(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butyl N-[4-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]oxan-3-yl]carbamate

Drug info:

PubChemData

Smile

CCCCOC(=O)NC1CCCCC1NC2=C(C3=C(C(=N2)C4CN(N=C4)C)C(=O)N(C3(C)C)CC5=C(C=C(C=C5)OC)OC)F

DOS

IR

Vibrations