Geometry & MOs

Info

ID:

162408

PubChem CID:

57394569

Reduced:

ClN4O5C34H35 (1)

Stoich.:

AB4C5D34E35 (1)

Weight, g/mol:

695.164444

ΔHf, kcal/mol:

-110.38

Dipole, Da:

10.89

IP(EA), eV:

 -9.19(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[[2-chloro-5-[(2,2-difluoroethylamino)methyl]phenyl]methyl]-N-cyclopropyl-1-[6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl]-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CC2=CC(=C(C=C2)Cl)CN(C3CC3)C(=O)[C@H]4CNCC(=O)N4C5=CC=C(C=C5)COC(=O)C6=CC=CC=C6

DOS

IR

Vibrations