Geometry & MOs

Info

ID:

448922

PubChem CID:

135294521

Reduced:

S2F6N12C39H46 (1)

Stoich.:

A2B6C12D39E46 (1)

Weight, g/mol:

595.391997

ΔHf, kcal/mol:

-200.15

Dipole, Da:

15.46

IP(EA), eV:

 -8.41(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-3-[2-[2-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]butyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)propyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](C2(C1)CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(N=CC=C4)C(F)(F)F)N[C@H]5C[C@@H](C6(C5)CCN(CC6)C7=CN=C(C(=N7)N)SC8=C(N=CC=C8)C(F)(F)F)N

DOS

IR

Vibrations