Geometry & MOs

Info

ID:	447720
PubChem CID:	135285099
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	546.226054
ΔH_f, kcal/mol:	-35.25
Dipole, Da:	3.22
IP(EA), eV:	-8.9(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2C3CC=C(C3)C2C(=O)N

DOS

IR

Vibrations