Geometry & MOs

Info

ID:	441505
PubChem CID:	135235430
Reduced:	SO2F4N6H16C19 (1)
Stoich.:	AB2C4D6E16F19 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-165.33
Dipole, Da:	7.6
IP(EA), eV:	-9.72(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(benzotriazol-2-yl)-3-hydroxyphenyl] 2-methyl-3-propylheptanoate

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(N1C)C2=CC(=CN=C2)F)C3=NC4=CC(=NC=C4N3C)C(F)(F)F

DOS

IR

Vibrations