Geometry & MOs

Info

ID:	264030
PubChem CID:	103419248
Reduced:	SO2N4C12H20 (1)
Stoich.:	AB2C4D12E20 (1)
Weight, g/mol:	310.117356
ΔH_f, kcal/mol:	-83.59
Dipole, Da:	8.29
IP(EA), eV:	-8.06(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-amino-5-(azepan-1-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C(=C(S1)C(=O)N(C)C)N)C(=O)N

DOS

IR

Vibrations