Geometry & MOs

Info

ID:

306552

PubChem CID:

125086648

Reduced:

BrClSN3O5C37H39 (1)

Stoich.:

ABCD3E5F37G39 (1)

Weight, g/mol:

528.138879

ΔHf, kcal/mol:

-131.51

Dipole, Da:

8.31

IP(EA), eV:

 -8.89(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-7-methyl-4-(4-methylphenyl)sulfonyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CC(=O)N(CC2=CC=C(C=C2)Br)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCC4)S(=O)(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations