Geometry & MOs

Info

ID:	58005
PubChem CID:	24398206
Reduced:	ClON2S2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	399.047812
ΔH_f, kcal/mol:	21.48
Dipole, Da:	1.18
IP(EA), eV:	-8.97(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(CC=C1)C(=O)NC2=NC(=CS2)C3=CC=C(S3)Cl

DOS

IR

Vibrations