Geometry & MOs

Info

ID:	435488
PubChem CID:	135191607
Reduced:	ISN4O4H21C22 (1)
Stoich.:	ABC4D4E21F22 (1)
Weight, g/mol:	496.247441
ΔH_f, kcal/mol:	-28.96
Dipole, Da:	7.24
IP(EA), eV:	-8.58(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-4-(cyclobutanecarbonyl)-5-[4-[(cyclopentylamino)methyl]-2-methylanilino]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)furan-3-one

Drug info:

PubChemData

Smile

CN(CCOC(=O)C1=C(O/C(=C\C2=CNC3=C2C=CC=N3)/C1=O)N(C)CC4=CC=CS4)I

DOS

IR

Vibrations