Geometry & MOs

Info

ID:	61915
PubChem CID:	26715800
Reduced:	BrN2O5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	489.193357
ΔH_f, kcal/mol:	-136.1
Dipole, Da:	4.52
IP(EA), eV:	-8.85(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C(=O)NNC(=O)CC2=CC=C(C=C2)OC)Br)OC

DOS

IR

Vibrations