Geometry & MOs

Info

ID:	194524
PubChem CID:	78548092
Reduced:	ClNSO3C21H24 (1)
Stoich.:	ABCD3E21F24 (1)
Weight, g/mol:	378.124943
ΔH_f, kcal/mol:	-117.33
Dipole, Da:	4.34
IP(EA), eV:	-9.01(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C(C)SC2=CC=C(C=C2)Cl

DOS

IR

Vibrations