Geometry & MOs

Info

ID:	349210
PubChem CID:	127274936
Reduced:	SN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	344.140593
ΔH_f, kcal/mol:	-110.69
Dipole, Da:	5.37
IP(EA), eV:	-9.56(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-4-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=NC=C3

DOS

IR

Vibrations