Geometry & MOs

Info

ID:	368953
PubChem CID:	127330972
Reduced:	ClSN3O4C17H18 (1)
Stoich.:	ABC3D4E17F18 (1)
Weight, g/mol:	379.204196
ΔH_f, kcal/mol:	-117.27
Dipole, Da:	2.71
IP(EA), eV:	-9.0(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(C(=CC(=C2)CNC(=O)NC3=NC4=C(S3)COCC4)Cl)OC1

DOS

IR

Vibrations