Geometry & MOs

Info

ID:	61691
PubChem CID:	26711824
Reduced:	SN2O4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-114.46
Dipole, Da:	4.88
IP(EA), eV:	-8.61(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cycloheptylamino)-2-oxoethyl]-3,5-dimethylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3CCCCCC3

DOS

IR

Vibrations