Geometry & MOs

Info

ID:	435225
PubChem CID:	135185380
Reduced:	SO2N6C42H52 (1)
Stoich.:	AB2C6D42E52 (1)
Weight, g/mol:	348.048854
ΔH_f, kcal/mol:	81.8
Dipole, Da:	3.5
IP(EA), eV:	-8.72(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-1-oxopropan-2-yl)-3-chloro-N-prop-2-ynyl-5-(trifluoromethoxy)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)SC2=CC(=CC(=C2OC)N3N=C4C=CC=CC4=N3)C(C)(C)CC(C)(C)C)OC)N5N=C6C=CC=CC6=N5

DOS

IR

Vibrations