Geometry & MOs

Info

ID:	14100
PubChem CID:	404233
Reduced:	N2O4H24C27 (1)
Stoich.:	A2B4C24D27 (1)
Weight, g/mol:	440.173607
ΔH_f, kcal/mol:	-47.35
Dipole, Da:	6.71
IP(EA), eV:	-8.85(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(benzhydrylideneamino)-2-hydroxy-5-(4-methylphenyl)-3-oxopyrrol-2-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=O)C(N2N=C(C3=CC=CC=C3)C4=CC=CC=C4)(CC(=O)OC)O

DOS

IR

Vibrations