Geometry & MOs

Info

ID:	206404
PubChem CID:	80246920
Reduced:	SN2O2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	266.108899
ΔH_f, kcal/mol:	-86.1
Dipole, Da:	1.26
IP(EA), eV:	-8.88(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-[(4-methylthiophen-3-yl)methyl]-1,4-diazepane-2,5-dione

Drug info:

PubChemData

Smile

CCCC1C(=O)N(C(C(=O)N1)CC)CC2=CSC=C2C

DOS

IR

Vibrations