Geometry & MOs

Info

ID:	366820
PubChem CID:	127320388
Reduced:	SN3O5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	372.208279
ΔH_f, kcal/mol:	-138.96
Dipole, Da:	10.13
IP(EA), eV:	-9.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC3=NOC(=C3)C

DOS

IR

Vibrations