Geometry & MOs

Info

ID:	217495
PubChem CID:	85087903
Reduced:	O4N5C18H19 (1)
Stoich.:	A4B5C18D19 (1)
Weight, g/mol:	369.095869
ΔH_f, kcal/mol:	-59.86
Dipole, Da:	2.89
IP(EA), eV:	-9.63(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetylsulfanyl-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC(=NN2C3C(C(C(O3)CO)O)O)C4=NC=CN=C4

DOS

IR

Vibrations