Geometry & MOs

Info

ID:	352263
PubChem CID:	127283345
Reduced:	SN4O4C17H20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-102.03
Dipole, Da:	6.87
IP(EA), eV:	-8.99(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-3-[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)N=CN(C2=O)C)C(=O)N3CSCC3C(=O)NCC4CC4

DOS

IR

Vibrations