Geometry & MOs

Info

ID:	66272
PubChem CID:	46501247
Reduced:	NOC12H19 (2)
Stoich.:	ABC12D19 (2)
Weight, g/mol:	605.25383
ΔH_f, kcal/mol:	-114.08
Dipole, Da:	6.58
IP(EA), eV:	-9.01(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromobenzoyl)-2-methyl-N-octadecylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCCCCCNC(=O)C1=CC=C(C=C1)NC(=O)C2C(C2CCCC)C

DOS

IR

Vibrations