Geometry & MOs

Info

ID:	156600
PubChem CID:	56371302
Reduced:	FOSN4C25H33 (1)
Stoich.:	ABCD4E25F33 (1)
Weight, g/mol:	415.150053
ΔH_f, kcal/mol:	-61.34
Dipole, Da:	2.85
IP(EA), eV:	-8.56(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-N-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)N(CC2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations