Geometry & MOs

Info

ID:	368224
PubChem CID:	127327775
Reduced:	SO2N4C19H32 (1)
Stoich.:	AB2C4D19E32 (1)
Weight, g/mol:	282.151433
ΔH_f, kcal/mol:	-85.44
Dipole, Da:	6.74
IP(EA), eV:	-8.51(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-(1,3,4-thiadiazol-2-yl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCN(CC1)C(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations