Geometry & MOs

Info

ID:	137003
PubChem CID:	52135552
Reduced:	SN5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	361.132094
ΔH_f, kcal/mol:	78.91
Dipole, Da:	9.41
IP(EA), eV:	-8.93(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-(1-ethyl-3-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,2-oxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1SCCC2=CC=CC=C2)CCC3=C(N(N=C3)C)C

DOS

IR

Vibrations