Geometry & MOs

Info

ID:	170340
PubChem CID:	75218788
Reduced:	BN2P2O14C46H67 (1)
Stoich.:	AB2C2D14E46F67 (1)
Weight, g/mol:	531.02706
ΔH_f, kcal/mol:	-604.85
Dipole, Da:	1.86
IP(EA), eV:	-8.46(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromobenzoyl)-1-(2-chlorophenyl)pent-2-enyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

B(C#CCOCCOCCOCP(=O)(OCC)OCC)(C#CCOCCOCCOCP(=O)(OCC)OCC)N1C(=CC(=C1C(=C2C(=CC(=N2)C)C)C3=CC=C(C=C3)C(=O)OCC)C)C

DOS

IR

Vibrations