Geometry & MOs

Info

ID:

149707

PubChem CID:

53789382

Reduced:

NO2C16H23 (2)

Stoich.:

AB2C16D23 (2)

Weight, g/mol:

688.307241

ΔHf, kcal/mol:

-259.11

Dipole, Da:

0.73

IP(EA), eV:

 -10.32(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[[2,2-difluoro-5-(4-phenylmethoxyphenyl)-7-oxa-3-azabicyclo[4.1.0]hepta-3,5-dien-1-yl]-(pentanoylamino)methyl]carbamate

Drug info:

PubChemData

Smile

CCC(C)N1C(=O)C2CCC3C4CCC5C6C4C(CCC6C(=O)N(C5=O)C(C)CC)C7C3C2C(C1=O)CC7

DOS

IR

Vibrations