Geometry & MOs

Info

ID:	321248
PubChem CID:	126665596
Reduced:	F4N5O6C35H37 (1)
Stoich.:	A4B5C6D35E37 (1)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	-402.99
Dipole, Da:	8.72
IP(EA), eV:	-9.19(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-(3-cyclopropyl-1-pyridin-4-ylpropylidene)-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)C(C4=CC(=CC=C4)NC(=O)OC(C)(C)C)O)F

DOS

IR

Vibrations