Geometry & MOs

Info

ID:	303360
PubChem CID:	124489569
Reduced:	NF2O2H10C11 (2)
Stoich.:	AB2C2D10E11 (2)
Weight, g/mol:	401.183838
ΔH_f, kcal/mol:	-296.92
Dipole, Da:	9.55
IP(EA), eV:	-9.64(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-methyl-2-[[(2S)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=C2[C@@H](N(C(=O)C2=O)CCCOC)C3=CC(=C(C=C3)C(F)(F)F)F)O

DOS

IR

Vibrations