Geometry & MOs

Info

ID:	156533
PubChem CID:	56371030
Reduced:	FOSN6C22H25 (1)
Stoich.:	ABCD6E22F25 (1)
Weight, g/mol:	477.186832
ΔH_f, kcal/mol:	2.72
Dipole, Da:	3.72
IP(EA), eV:	-8.78(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=C(N2C)C(C)C)CC3=CC=C(C=C3)F)C

DOS

IR

Vibrations