Geometry & MOs

Info

ID:	192306
PubChem CID:	78254514
Reduced:	SN2O5H16C22 (1)
Stoich.:	AB2C5D16E22 (1)
Weight, g/mol:	372.144712
ΔH_f, kcal/mol:	-6.75
Dipole, Da:	1.95
IP(EA), eV:	-9.95(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoylamino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3C=C(C=CC3=NC2=O)[N+](=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations