Geometry & MOs

Info

ID:

306498

PubChem CID:

125083915

Reduced:

Cl2S2N3O5C37H41 (1)

Stoich.:

A2B2C3D5E37F41 (1)

Weight, g/mol:

661.16099

ΔHf, kcal/mol:

-149.78

Dipole, Da:

7.06

IP(EA), eV:

 -8.77(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(3-bromophenyl)methyl-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CC(=O)N(CC2=C(C=C(C=C2)Cl)Cl)[C@H](CC3=CC=CC=C3)C(=O)NC(C)(C)C)S(=O)(=O)C4=CC=C(C=C4)SC

DOS

IR

Vibrations