Geometry & MOs

Info

ID:	196321
PubChem CID:	78811285
Reduced:	SN2O2C17H26 (1)
Stoich.:	AB2C2D17E26 (1)
Weight, g/mol:	375.04701
ΔH_f, kcal/mol:	-104.54
Dipole, Da:	3.49
IP(EA), eV:	-8.66(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,6-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)OC(=O)CCC2=C(N=C(N=C2C)SC)C

DOS

IR

Vibrations