Geometry & MOs

Info

ID:

304343

PubChem CID:

124546085

Reduced:

SN4O5C28H42 (1)

Stoich.:

AB4C5D28E42 (1)

Weight, g/mol:

543.197397

ΔHf, kcal/mol:

-250.91

Dipole, Da:

5.49

IP(EA), eV:

 -8.48(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-1-[5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-3-methylsulfanylpropyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@H]2CCCN2C(=O)C3CCN(CC3)C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations