Geometry & MOs

Info

ID:	355143
PubChem CID:	127288075
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-114.23
Dipole, Da:	3.89
IP(EA), eV:	-8.86(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations