Geometry & MOs

Info

ID:

317638

PubChem CID:

126644683

Reduced:

O3N7C38H47 (1)

Stoich.:

A3B7C38D47 (1)

Weight, g/mol:

474.226705

ΔHf, kcal/mol:

-29.18

Dipole, Da:

3.12

IP(EA), eV:

 -8.27(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-[6-amino-5-[[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]carbamoyl]pyridin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CC=C(C=C3)CO[C@H]4CCC[C@@H]4NC(=O)C5=C(N=CC(=C5)C6=CN(N=C6)C7CCOCC7)N

DOS

IR

Vibrations