Geometry & MOs

Info

ID:

445105

PubChem CID:

135264542

Reduced:

SN4O4C36H42 (1)

Stoich.:

AB4C4D36E42 (1)

Weight, g/mol:

652.251955

ΔHf, kcal/mol:

-120.77

Dipole, Da:

3.92

IP(EA), eV:

 -9.03(-0.94)

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-phenylphenyl)pyrimidin-2-yl]phenyl]-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(O)O)NC(=O)[C@H](CC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C4CCCC4)NC(=O)C5=CC=C(S5)C(C)(C)C

DOS

IR

Vibrations