Geometry & MOs

Info

ID:

445104

PubChem CID:

135264541

Reduced:

SN5O5C37H39 (1)

Stoich.:

AB5C5D37E39 (1)

Weight, g/mol:

626.292677

ΔHf, kcal/mol:

-101.76

Dipole, Da:

8.39

IP(EA), eV:

 -9.17(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=NC=C(C=C2)C3=CN=C(N=C3)C4=CC=C(C=C4)C[C@@H](C(N[C@H](C)C(=O)O)O)NC(=O)C5=CC=C(S5)C(C)(C)C

DOS

IR

Vibrations