Geometry & MOs

Info

ID:

328955

PubChem CID:

126729540

Reduced:

N3O4H27C43 (1)

Stoich.:

A3B4C27D43 (1)

Weight, g/mol:

517.06153

ΔHf, kcal/mol:

61.4

Dipole, Da:

6.74

IP(EA), eV:

 -8.44(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl N-[7-bromo-5-chloro-2-[methoxy(methyl)carbamoyl]furo[2,3-c]pyridin-3-yl]-N-[(4S)-2-ethyloxan-4-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C2=C3C=CC4=C5C3=C(C=CC5=C(C=C4)C#CC6=CC(=NC=C6)C7=NC(=CC(=C7)C(=O)O)C8=NC=CC(=C8)C(=O)O)C=C2

DOS

IR

Vibrations