Geometry & MOs

Info

ID:

163866

PubChem CID:

74380568

Reduced:

BrO3N5C29H32 (1)

Stoich.:

AB3C5D29E32 (1)

Weight, g/mol:

617.20015

ΔHf, kcal/mol:

61.84

Dipole, Da:

7.19

IP(EA), eV:

 -8.85(-0.97)

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)-7-(cyclopropylmethylamino)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CN1CCCC1C2=NC3=C(N2C4=CC=C(C=C4)CC(C(=O)O)NC5=C(C(=O)C56CCCCC6)Br)N=CC=C3

DOS

IR

Vibrations