Geometry & MOs

Info

ID:	175279
PubChem CID:	75878273
Reduced:	N2O3F4H16C22 (1)
Stoich.:	A2B3C4D16E22 (1)
Weight, g/mol:	336.11775
ΔH_f, kcal/mol:	-243.77
Dipole, Da:	3.81
IP(EA), eV:	-8.75(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)azepane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C=CC(=O)NC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(F)(F)F

DOS

IR

Vibrations