Geometry & MOs

Info

ID:	356243
PubChem CID:	127291316
Reduced:	O2S2N3C18H27 (1)
Stoich.:	A2B2C3D18E27 (1)
Weight, g/mol:	392.156992
ΔH_f, kcal/mol:	-72.59
Dipole, Da:	4.98
IP(EA), eV:	-8.75(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopentanecarbonyl)-N-(7-fluoro-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)NCCN2CCC3=C(C2)C=CS3

DOS

IR

Vibrations