Geometry & MOs

Info

ID:

306574

PubChem CID:

125089078

Reduced:

SN3O4C35H45 (1)

Stoich.:

AB3C4D35E45 (1)

Weight, g/mol:

625.201335

ΔHf, kcal/mol:

-152.02

Dipole, Da:

8.21

IP(EA), eV:

 -8.95(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations