Geometry & MOs

Info

ID:	379265
PubChem CID:	134356961
Reduced:	N7H17C21 (1)
Stoich.:	A7B17C21 (1)
Weight, g/mol:	426.181567
ΔH_f, kcal/mol:	154.28
Dipole, Da:	4.68
IP(EA), eV:	-8.56(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-(6-fluoropyridin-3-yl)buta-1,3-dienyl]acetamide

Drug info:

PubChemData

Smile

CCNC1=NC=C(C=N1)C2=CC3=NC=C(N3C=C2)C4=C5C(=NC=C4)C=CC=N5

DOS

IR

Vibrations