Geometry & MOs

Info

ID:	265482
PubChem CID:	103524814
Reduced:	SO2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	311.112605
ΔH_f, kcal/mol:	-53.16
Dipole, Da:	4.5
IP(EA), eV:	-8.26(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=C(S1)N2CCCNCC2)C3CC3)N

DOS

IR

Vibrations