Geometry & MOs

Info

ID:

306560

PubChem CID:

125087380

Reduced:

SN3O6C33H41 (1)

Stoich.:

AB3C6D33E41 (1)

Weight, g/mol:

681.183098

ΔHf, kcal/mol:

-196.95

Dipole, Da:

6.38

IP(EA), eV:

 -8.51(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(2-chlorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN([C@H](CC2=CC=CC=C2)C(=O)NC3CCCC3)C(=O)CN(C4=C(C=CC(=C4)OC)OC)S(=O)(=O)C

DOS

IR

Vibrations