Geometry & MOs

Info

ID:	217410
PubChem CID:	85087775
Reduced:	PN5O7C11H16 (1)
Stoich.:	AB5C7D11E16 (1)
Weight, g/mol:	361.079766
ΔH_f, kcal/mol:	-311.34
Dipole, Da:	5.03
IP(EA), eV:	-9.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,5-dihydroxy-2-[3-(3,4,5-trihydroxyphenyl)prop-2-enoylamino]benzoate

Drug info:

PubChemData

Smile

C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COCOP(=O)(O)O)O

DOS

IR

Vibrations