Geometry & MOs

Info

ID:	436566
PubChem CID:	135205450
Reduced:	ClF2O4N5H22C28 (1)
Stoich.:	AB2C4D5E22F28 (1)
Weight, g/mol:	551.123943
ΔH_f, kcal/mol:	-103.38
Dipole, Da:	2.84
IP(EA), eV:	-8.96(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxopyridin-1-yl]-N-(2-methylindazol-5-yl)butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC2=NC=CN=C2C=C1)N3C=C(C(=CC3=O)C4=C(C=CC(=C4)Cl)C5=NOC(=C5)C(F)F)OC

DOS

IR

Vibrations