Geometry & MOs

Info

ID:

325515

PubChem CID:

126683726

Reduced:

FNO3C33H34 (1)

Stoich.:

ABC3D33E34 (1)

Weight, g/mol:

508.236208

ΔHf, kcal/mol:

-118.2

Dipole, Da:

5.37

IP(EA), eV:

 -8.82(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-[(2R,4S)-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-4-yl]benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)C(=O)O)[C@@H]2C[C@@H](OC3=CC=CC=C23)CCCN[C@H](C)C4=CC=C(C5=CC=CC=C54)F

DOS

IR

Vibrations