Geometry & MOs

Info

ID:	189995
PubChem CID:	77937691
Reduced:	BrNO4C24H28 (1)
Stoich.:	ABC4D24E28 (1)
Weight, g/mol:	626.238591
ΔH_f, kcal/mol:	-117.96
Dipole, Da:	3.68
IP(EA), eV:	-8.93(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-14-[3-(trifluoromethoxy)anilino]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCC=C(CN2CCOCC2)C3=CC=C(C=C3)Br)OCC(=O)O

DOS

IR

Vibrations