Geometry & MOs

Info

ID:	240717
PubChem CID:	93617177
Reduced:	SN3O3C13H23 (1)
Stoich.:	AB3C3D13E23 (1)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	-105.18
Dipole, Da:	6.64
IP(EA), eV:	-9.45(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1OCCNS(=O)(=O)C2=CN(N=C2)C

DOS

IR

Vibrations