Geometry & MOs

Info

ID:	368681
PubChem CID:	127329818
Reduced:	SO2N4C19H32 (1)
Stoich.:	AB2C4D19E32 (1)
Weight, g/mol:	268.135782
ΔH_f, kcal/mol:	-80.63
Dipole, Da:	5.13
IP(EA), eV:	-8.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C(=O)NC2=NC(=CS2)CN3CC(OC(C3)C)C

DOS

IR

Vibrations