Geometry & MOs

Info

ID:	234652
PubChem CID:	92303241
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	401.183838
ΔH_f, kcal/mol:	-66.36
Dipole, Da:	4.44
IP(EA), eV:	-9.04(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-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

CC[C@@H](C)NC(=O)/C=C\C1=CC=C(O1)C

DOS

IR

Vibrations