Geometry & MOs

Info

ID:

229357

PubChem CID:

87567470

Reduced:

P2N5O21C48H61 (1)

Stoich.:

A2B5C21D48E61 (1)

Weight, g/mol:

596.155766

ΔHf, kcal/mol:

-988.42

Dipole, Da:

4.94

IP(EA), eV:

 -9.32(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

difluoromethyl-[4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]phosphinic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OCCC(OC(=O)C1=CNC(=O)C=C1)OP(=O)(C(CCCN)(O)P(=O)(O)O)OC(CCOC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2)OC(=O)C3=CNC(=O)C=C3)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations