Geometry & MOs

Info

ID:	312095
PubChem CID:	126603065
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	567.226388
ΔH_f, kcal/mol:	33.73
Dipole, Da:	10.12
IP(EA), eV:	-8.73(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)[N+](=O)[O-])NCCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations