Geometry & MOs

Info

ID:

306557

PubChem CID:

125086945

Reduced:

BrClSN3O4C37H39 (1)

Stoich.:

ABCD3E4F37G39 (1)

Weight, g/mol:

707.198748

ΔHf, kcal/mol:

-100.17

Dipole, Da:

7.71

IP(EA), eV:

 -9.43(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC(=O)N(CC2=CC=C(C=C2)Br)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCCC4)S(=O)(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations