Geometry & MOs

Info

ID:	362781
PubChem CID:	127309329
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-53.8
Dipole, Da:	3.09
IP(EA), eV:	-8.98(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C(CCC2)N(C)C(=O)NC3CCCOC4=CC=CC=C34

DOS

IR

Vibrations