Geometry & MOs

Info

ID:

219266

PubChem CID:

85098322

Reduced:

INPO4C33H35 (1)

Stoich.:

ABCD4E33F35 (1)

Weight, g/mol:

667.306907

ΔHf, kcal/mol:

-113.42

Dipole, Da:

14.06

IP(EA), eV:

 -6.35(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2,2-difluoro-4-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-oxo-5-(4-phenylmethoxyphenyl)pentyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4.[I-]

DOS

IR

Vibrations