Geometry & MOs

Info

ID:

306584

PubChem CID:

125089241

Reduced:

SN3O6C32H41 (1)

Stoich.:

AB3C6D32E41 (1)

Weight, g/mol:

643.17156

ΔHf, kcal/mol:

-203.9

Dipole, Da:

5.35

IP(EA), eV:

 -9.09(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-[(2R)-butan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](CC)N(CC1=CC=C(C=C1)OC)C(=O)CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations