Geometry & MOs

Info

ID:	157610
PubChem CID:	56436033
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	454.251481
ΔH_f, kcal/mol:	-62.16
Dipole, Da:	2.71
IP(EA), eV:	-8.78(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)CCSC2=CC=C(C=C2)OC)C(C)(C)C

DOS

IR

Vibrations