Geometry & MOs

Info

ID:	189911
PubChem CID:	77922403
Reduced:	SF2O3N5C25H29 (1)
Stoich.:	AB2C3D5E25F29 (1)
Weight, g/mol:	452.206897
ΔH_f, kcal/mol:	-139.94
Dipole, Da:	1.85
IP(EA), eV:	-8.42(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-7-(2,4,5-trifluorophenyl)heptan-3-yl]-N-(2-methylpropyl)-2-(sulfamoylamino)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(N=C(C=C2)CN3C(=CC(=N3)CF)CF)C)C(=O)NC(C)CS(=O)C

DOS

IR

Vibrations