Geometry & MOs

Info

ID:	365595
PubChem CID:	127318202
Reduced:	ON2S2C12H22 (1)
Stoich.:	AB2C2D12E22 (1)
Weight, g/mol:	271.135448
ΔH_f, kcal/mol:	-69.12
Dipole, Da:	2.65
IP(EA), eV:	-8.67(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-(thian-4-ylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)NCC2CCSCC2

DOS

IR

Vibrations