Geometry & MOs

Info

ID:	56470
PubChem CID:	17435765
Reduced:	N2O2F5H11C16 (1)
Stoich.:	A2B2C5D11E16 (1)
Weight, g/mol:	383.111519
ΔH_f, kcal/mol:	-289.56
Dipole, Da:	6.03
IP(EA), eV:	-9.56(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(difluoromethyl)imidazol-2-yl]methyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CC(=CC(=C2)F)F)C(=O)NCC(F)(F)F

DOS

IR

Vibrations