Geometry & MOs

Info

ID:

306594

PubChem CID:

125089698

Reduced:

BrSN3O4C30H36 (1)

Stoich.:

ABC3D4E30F36 (1)

Weight, g/mol:

739.14823

ΔHf, kcal/mol:

-121.02

Dipole, Da:

8.5

IP(EA), eV:

 -8.71(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]-[(3-chlorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N(CC(=O)N(CC2=CC(=CC=C2)Br)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations