Geometry & MOs

Info

ID:	68763
PubChem CID:	46509044
Reduced:	OS2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	339.168188
ΔH_f, kcal/mol:	76.54
Dipole, Da:	5.15
IP(EA), eV:	-8.2(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C(OC(=N3)C4=CC=CS4)C

DOS

IR

Vibrations