Geometry & MOs

Info

ID:

231357

PubChem CID:

87573546

Reduced:

BrNO2H12C16 (2)

Stoich.:

ABC2D12E16 (2)

Weight, g/mol:

460.1765

ΔHf, kcal/mol:

-93.11

Dipole, Da:

0.35

IP(EA), eV:

 -9.37(-2.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[2-chloro-5-[[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]methoxy]pyridin-3-yl]benzoate

Drug info:

PubChemData

Smile

CCC(C)N1C(=O)C2=C3C(=CC(=C4C3=C(C=C2)C5=C(C=C6C7=C(C=CC4=C57)C(=O)N(C6=O)C(C)CC)Br)Br)C1=O

DOS

IR

Vibrations