Geometry & MOs

Info

ID:	356300
PubChem CID:	127291373
Reduced:	SO2N3C17H31 (1)
Stoich.:	AB2C3D17E31 (1)
Weight, g/mol:	374.166414
ΔH_f, kcal/mol:	-121.3
Dipole, Da:	4.02
IP(EA), eV:	-8.6(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopentanecarbonyl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CSCC1C(=O)NCCC2CCN(CC2)C

DOS

IR

Vibrations