Geometry & MOs

Info

ID:	65084
PubChem CID:	29204445
Reduced:	BrSN2O4C22H27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	446.187543
ΔH_f, kcal/mol:	-158.71
Dipole, Da:	4.86
IP(EA), eV:	-8.54(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(4-butylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations