Geometry & MOs

Info

ID:

86121

PubChem CID:

49882028

Reduced:

SCl2O3N4H20C25 (1)

Stoich.:

AB2C3D4E20F25 (1)

Weight, g/mol:

488.101054

ΔHf, kcal/mol:

-1.48

Dipole, Da:

5.03

IP(EA), eV:

 -8.87(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=C(C=CC=C5Cl)Cl

DOS

IR

Vibrations