Geometry & MOs

Info

ID:	310709
PubChem CID:	126584479
Reduced:	O5C9H16 (1)
Stoich.:	A5B9C16 (1)
Weight, g/mol:	542.163534
ΔH_f, kcal/mol:	-252.34
Dipole, Da:	4.96
IP(EA), eV:	-10.83(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]-1-(4-fluorophenyl)-1-hydroxypropane-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)C(CC(=O)O)(CC(=O)OC)O

DOS

IR

Vibrations