Geometry & MOs

Info

ID:

445094

PubChem CID:

135264525

Reduced:

N3O4C30H35 (1)

Stoich.:

A3B4C30D35 (1)

Weight, g/mol:

694.298905

ΔHf, kcal/mol:

-100.17

Dipole, Da:

3.35

IP(EA), eV:

 -8.76(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-tert-butyl-N-[(2S)-1-[[(2R)-1,1-dihydroxypropan-2-yl]amino]-3-[4-[5-[2-fluoro-4-(4-propylphenyl)phenyl]pyrimidin-2-yl]phenyl]-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)CCC(=O)N4CC(C4)C(=O)O

DOS

IR

Vibrations