Geometry & MOs

Info

ID:

311517

PubChem CID:

126592990

Reduced:

N2O3C14H22 (1)

Stoich.:

A2B3C14D22 (1)

Weight, g/mol:

731.24422

ΔHf, kcal/mol:

-132.16

Dipole, Da:

3.03

IP(EA), eV:

 -9.69(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[5-[[4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]piperidine-1-carbonyl]amino]pyridin-2-yl]-N-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C2)C(=O)C=N

DOS

IR

Vibrations