Geometry & MOs

Info

ID:	355010
PubChem CID:	127287871
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	228.093249
ΔH_f, kcal/mol:	-84.56
Dipole, Da:	2.93
IP(EA), eV:	-8.67(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=C(C=C2)NC(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations