Geometry & MOs

Info

ID:

215247

PubChem CID:

85084423

Reduced:

O8N10C37H62 (1)

Stoich.:

A8B10C37D62 (1)

Weight, g/mol:

775.15154

ΔHf, kcal/mol:

-375.6

Dipole, Da:

10.62

IP(EA), eV:

 -9.3(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(4-amino-3,5-dibromophenyl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(CCCN)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations