Geometry & MOs

Info

ID:	235138
PubChem CID:	92304109
Reduced:	N3O3H21C23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	401.183838
ΔH_f, kcal/mol:	-19.95
Dipole, Da:	2.5
IP(EA), eV:	-8.51(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-methyl-2-[[(2R)-2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]propanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C/C(=N\N1[C@@H](NC2=CC=CC=C2C1=O)C3=CC=CC=C3O)/C4=CC=C(C=C4)OC

DOS

IR

Vibrations