Geometry & MOs

Info

ID:	156702
PubChem CID:	56371808
Reduced:	OSN5C23H29 (1)
Stoich.:	ABC5D23E29 (1)
Weight, g/mol:	431.090824
ΔH_f, kcal/mol:	30.21
Dipole, Da:	6.59
IP(EA), eV:	-8.28(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)N(C2=CC=C(C=C2)NC3=CC=CC=C3)C(C)C

DOS

IR

Vibrations