Geometry & MOs

Info

ID:	24396
PubChem CID:	609858
Reduced:	SN2O2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	308.155849
ΔH_f, kcal/mol:	-107.23
Dipole, Da:	3.9
IP(EA), eV:	-8.95(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=C(C2=C(S1)CCCCCC2)C(=O)N

DOS

IR

Vibrations