Geometry & MOs

Info

ID:	196045
PubChem CID:	78771814
Reduced:	NOSC16H23 (1)
Stoich.:	ABCD16E23 (1)
Weight, g/mol:	386.141262
ΔH_f, kcal/mol:	-43.09
Dipole, Da:	2.71
IP(EA), eV:	-8.47(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]amino]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)SC)C(=O)CC2CCCC2

DOS

IR

Vibrations