Geometry & MOs

Info

ID:

187134

PubChem CID:

77534556

Reduced:

BrON4C15H17 (1)

Stoich.:

ABC4D15E17 (1)

Weight, g/mol:

599.316643

ΔHf, kcal/mol:

41.92

Dipole, Da:

6.0

IP(EA), eV:

 -9.23(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[9,9-dimethyl-12-[(2-methylpropan-2-yl)oxycarbonylamino]-5,8,11-trioxo-6-propan-2-yl-1,14-dioxa-4,7,10-triazacyclooctadec-16-ene-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)C2=C(C3=C(C=C2)N(N=N3)CC4CC4)Br

DOS

IR

Vibrations