Geometry & MOs

Info

ID:	358297
PubChem CID:	127295842
Reduced:	O3S3N4C13H22 (1)
Stoich.:	A3B3C4D13E22 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-107.69
Dipole, Da:	8.3
IP(EA), eV:	-8.49(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[1-(3,5-dimethylphenyl)ethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNC(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations