Geometry & MOs

Info

ID:

424827

PubChem CID:

135124100

Reduced:

SN3O4C32H39 (1)

Stoich.:

AB3C4D32E39 (1)

Weight, g/mol:

540.321275

ΔHf, kcal/mol:

-80.82

Dipole, Da:

5.58

IP(EA), eV:

 -8.74(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[3-[[(2R)-2-ethyl-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepin-4-yl]methyl]-4-methylphenyl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CCN1C=C(N=N1)CCC(C2=CC(=C(S2)C)COCC3=CC=C(C=C3)OC)C(C)(C)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations