Geometry & MOs

Info

ID:

328798

PubChem CID:

126727885

Reduced:

N8O10C65H84 (1)

Stoich.:

A8B10C65D84 (1)

Weight, g/mol:

315.128214

ΔHf, kcal/mol:

-287.55

Dipole, Da:

6.81

IP(EA), eV:

 -8.28(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[4-[1,1-difluoro-2-(methoxyamino)-2-oxoethyl]phenyl]acetate

Drug info:

PubChemData

Smile

CC1=CC2=CC3=C(C=CC4=C3C(=C2C=C1)C(=O)N(C4=O)CCN(C)CCNCC(=O)[C@H](C)NCN[C@@H](CC(C)C)C(=O)CC(=O)[C@H](C)NCN[C@@H](CC(C)C)C(=O)C(=O)[C@H](C(C)C)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)OC

DOS

IR

Vibrations