Geometry & MOs

Info

ID:

306565

PubChem CID:

125088060

Reduced:

SCl2N3O5C24H31 (1)

Stoich.:

AB2C3D5E24F31 (1)

Weight, g/mol:

709.13767

ΔHf, kcal/mol:

-194.8

Dipole, Da:

6.38

IP(EA), eV:

 -9.23(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](C)N(CC1=CC=C(C=C1)Cl)C(=O)CN(C2=C(C=CC(=C2)Cl)OC)S(=O)(=O)C

DOS

IR

Vibrations