Geometry & MOs

Info

ID:	181077
PubChem CID:	76715589
Reduced:	FNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	675.243678
ΔH_f, kcal/mol:	-132.47
Dipole, Da:	1.27
IP(EA), eV:	-8.77(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-(1,3-benzothiazol-2-yloxy)-14-benzyl-N-cyclopropylsulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)NC(CCCCCC=C)C(=O)OC

DOS

IR

Vibrations