Geometry & MOs

Info

ID:

16965

PubChem CID:

481305

Reduced:

N3S3O6C28H45 (1)

Stoich.:

A3B3C6D28E45 (1)

Weight, g/mol:

615.24705

ΔHf, kcal/mol:

-251.33

Dipole, Da:

10.23

IP(EA), eV:

 -9.31(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-4-[cyclopentylmethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]amino]-2-hydroxybutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H](CCN(CC1CCCC1)S(=O)(=O)CC2=CSC(=N2)C(C)C)O)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations