Geometry & MOs

Info

ID:

445117

PubChem CID:

135264568

Reduced:

O4N5C31H41 (1)

Stoich.:

A4B5C31D41 (1)

Weight, g/mol:

654.233448

ΔHf, kcal/mol:

-126.49

Dipole, Da:

6.88

IP(EA), eV:

 -8.37(-0.66)

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-[5-(4-methylphenyl)thiophen-2-yl]pyrimidin-2-yl]phenyl]-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC1CCN(C(=O)C1)C2CCN(CC2)C3=CN=C(N=C3)C4=CC=C(C=C4)CCC(=O)N5CC(C5)C(=O)O

DOS

IR

Vibrations