Geometry & MOs

Info

ID:	430693
PubChem CID:	135170759
Reduced:	OSN2C25H30 (1)
Stoich.:	ABC2D25E30 (1)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	9.89
Dipole, Da:	3.25
IP(EA), eV:	-8.86(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1-methyl-5-oxo-3-phenyl-2H-pyrrol-2-yl) carbonate

Drug info:

PubChemData

Smile

C/C=C\C1=C(C=C(C=C1)C2=CC=C(C=C2)SC3CCN(CC3)C(=O)C(C)C)N=C

DOS

IR

Vibrations