Geometry & MOs

Info

ID:	181026
PubChem CID:	76715538
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	732.265142
ΔH_f, kcal/mol:	-77.39
Dipole, Da:	3.36
IP(EA), eV:	-8.52(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations