Geometry & MOs

Info

ID:	35179
PubChem CID:	7979433
Reduced:	N2O4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	410.130028
ΔH_f, kcal/mol:	-66.49
Dipole, Da:	3.97
IP(EA), eV:	-8.87(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methylanilino)-2-oxoethyl] (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NNC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

DOS

IR

Vibrations