Geometry & MOs

Info

ID:

163814

PubChem CID:

74380492

Reduced:

BrO3N4H29C31 (1)

Stoich.:

AB3C4D29E31 (1)

Weight, g/mol:

617.20015

ΔHf, kcal/mol:

7.54

Dipole, Da:

12.69

IP(EA), eV:

 -8.68(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-[2-(cyclopropylmethyl)-6-(cyclopropylmethylamino)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CN1C2=C(C(=C1C3=CN=CC=C3)C4=CC=C(C=C4)CC(C(=O)O)NC5=C(C(=O)C56CCCCC6)Br)N=CC=C2

DOS

IR

Vibrations