Geometry & MOs

Info

ID:	427277
PubChem CID:	135156599
Reduced:	PO4C5N5H6 (1)
Stoich.:	AB4C5D5E6 (1)
Weight, g/mol:	618.294116
ΔH_f, kcal/mol:	-122.03
Dipole, Da:	2.12
IP(EA), eV:	-9.3(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[7-[3-(2-carboxyprop-2-enyl)-3-hydroxy-4,7-dimethyl-2-oxoindol-1-yl]heptyl]-3-hydroxy-4,7-dimethyl-2-oxoindol-3-yl]methyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=C2C(=NC(=N1)N)N(C=N2)OP(=O)(O)O

DOS

IR

Vibrations