Geometry & MOs

Info

ID:	198791
PubChem CID:	79151835
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	257.156184
ΔH_f, kcal/mol:	-20.75
Dipole, Da:	5.08
IP(EA), eV:	-8.39(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)NC2=CC=CC=C2C(=S)N

DOS

IR

Vibrations