Geometry & MOs

Info

ID:	365241
PubChem CID:	127317586
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	320.122835
ΔH_f, kcal/mol:	-34.14
Dipole, Da:	4.35
IP(EA), eV:	-8.99(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(thian-4-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1O)C(C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations