Geometry & MOs

Info

ID:	436570
PubChem CID:	135205540
Reduced:	ClN2O6C27H33 (1)
Stoich.:	AB2C6D27E33 (1)
Weight, g/mol:	595.191022
ΔH_f, kcal/mol:	-207.68
Dipole, Da:	6.93
IP(EA), eV:	-8.68(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxopyridin-1-yl]-N-(2-methylindazol-5-yl)hexanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C[C@@H]1CCCCO1)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)C4=NOCC4)OC

DOS

IR

Vibrations