Geometry & MOs

Info

ID:	157733
PubChem CID:	56436847
Reduced:	NO4C21H29 (1)
Stoich.:	AB4C21D29 (1)
Weight, g/mol:	414.083863
ΔH_f, kcal/mol:	-182.1
Dipole, Da:	4.04
IP(EA), eV:	-8.69(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1=C2C(=C(OC2=C(C=C1)C)C(=O)N(C)CCCC(=O)OC(C)(C)C)C

DOS

IR

Vibrations