Geometry & MOs

Info

ID:

85979

PubChem CID:

49880795

Reduced:

S2O4N5C20H21 (1)

Stoich.:

A2B4C5D20E21 (1)

Weight, g/mol:

503.129711

ΔHf, kcal/mol:

-62.59

Dipole, Da:

2.99

IP(EA), eV:

 -8.91(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 4-methyl-2-[[2-[[4-methyl-5-(3-methyl-2H-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)CSC2=NN=C(N2C)C3(COC4=CC=CC=C4O3)C)C(=O)C

DOS

IR

Vibrations