Geometry & MOs

Info

ID:	134595
PubChem CID:	51719941
Reduced:	O2N3C11H14 (2)
Stoich.:	A2B3C11D14 (2)
Weight, g/mol:	360.147393
ΔH_f, kcal/mol:	-48.85
Dipole, Da:	12.5
IP(EA), eV:	-8.65(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-(4-methylphenyl)-4-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NON=C1CN2CC[NH+](CC2)[C@@H](C3=CNC4=C3C=CC(=C4)NC(=O)C(C)C)C(=O)[O-]

DOS

IR

Vibrations