Geometry & MOs

Info

ID:	429811
PubChem CID:	135169864
Reduced:	ClO2N4H9C10 (1)
Stoich.:	AB2C4D9E10 (1)
Weight, g/mol:	574.298014
ΔH_f, kcal/mol:	40.29
Dipole, Da:	7.83
IP(EA), eV:	-9.19(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-3-[1-(1-ethenylazetidin-3-yl)isoquinolin-4-yl]imino-4,4-difluoro-N-[(2E,4Z)-6-methyl-5-(triazol-2-ylmethyl)hepta-2,4-dien-3-yl]pentanamide

Drug info:

PubChemData

Smile

CONC1=CC(=C(N=C1)N2C=C(C=N2)C=O)Cl

DOS

IR

Vibrations