Geometry & MOs

Info

ID:	347471
PubChem CID:	127272326
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-18.23
Dipole, Da:	5.4
IP(EA), eV:	-8.96(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2(CC2)CNC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations