Geometry & MOs

Info

ID:	364246
PubChem CID:	127314550
Reduced:	SN3O3C15H27 (1)
Stoich.:	AB3C3D15E27 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-141.84
Dipole, Da:	5.78
IP(EA), eV:	-8.34(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-1,4-diazepan-1-yl)-(thian-4-yl)methanone

Drug info:

PubChemData

Smile

COCCNC(=O)CN1CCN(CC1)C(=O)C2CCSCC2

DOS

IR

Vibrations