Geometry & MOs

Info

ID:	77498
PubChem CID:	49648708
Reduced:	O2S2N3H19C20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	315.092915
ΔH_f, kcal/mol:	12.59
Dipole, Da:	5.1
IP(EA), eV:	-8.72(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isothiochromen-4-yl 4-acetyl-1-methylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)OC3CSCC4=CC=CC=C34

DOS

IR

Vibrations