Geometry & MOs

Info

ID:

424928

PubChem CID:

135124473

Reduced:

SF3O4N6C37H39 (1)

Stoich.:

AB3C4D6E37F39 (1)

Weight, g/mol:

578.300539

ΔHf, kcal/mol:

-202.7

Dipole, Da:

0.85

IP(EA), eV:

 -8.6(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]-2,2-dimethyl-N-pyrimidin-5-ylpropanamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2N=N1)C)C(CC(=O)NC3=CN=CC=C3)C4=CC(=C(C=C4)C)CN5C[C@H](CC6=C(S5(=O)=O)C=C(C=C6)C(F)(F)F)C)OC

DOS

IR

Vibrations