Geometry & MOs

Info

ID:	351846
PubChem CID:	127282246
Reduced:	N3O3C18H29 (1)
Stoich.:	A3B3C18D29 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-146.65
Dipole, Da:	5.35
IP(EA), eV:	-8.73(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[2-(2-methylthiomorpholin-4-yl)-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)CN(C)C(=O)CN2C(=O)C3CCCCC3C2=O

DOS

IR

Vibrations