Geometry & MOs

Info

ID:	38651
PubChem CID:	8137336
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	373.07955
ΔH_f, kcal/mol:	-105.32
Dipole, Da:	6.03
IP(EA), eV:	-8.89(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3,4-difluorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC(=O)NC3CC3

DOS

IR

Vibrations