Geometry & MOs

Info

ID:	132998
PubChem CID:	51460097
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	402.208947
ΔH_f, kcal/mol:	-79.43
Dipole, Da:	3.14
IP(EA), eV:	-8.94(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(2R)-butan-2-yl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C)SC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations