Geometry & MOs

Info

ID:

325508

PubChem CID:

126683699

Reduced:

SO4N5H25C29 (1)

Stoich.:

AB4C5D25E29 (1)

Weight, g/mol:

522.251858

ΔHf, kcal/mol:

15.93

Dipole, Da:

5.0

IP(EA), eV:

 -8.22(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-methyl-5-[(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=CN2C=C(N=C2N=C1)C3=CC4=C(O3)C=C(C=C4OCC5=CSC(=N5)C6=CC=C(C=C6)C(=O)N(C)C)OC

DOS

IR

Vibrations