Geometry & MOs

Info

ID:	252319
PubChem CID:	103110520
Reduced:	BrN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	256.124549
ΔH_f, kcal/mol:	-116.46
Dipole, Da:	2.56
IP(EA), eV:	-9.12(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]butane-1-sulfonamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1=C(C=CC(=C1)OC)Br

DOS

IR

Vibrations