Geometry & MOs

Info

ID:	86153
PubChem CID:	49882200
Reduced:	ClSN4O4H25C27 (1)
Stoich.:	ABC4D4E25F27 (1)
Weight, g/mol:	388.102768
ΔH_f, kcal/mol:	-42.47
Dipole, Da:	2.17
IP(EA), eV:	-8.69(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SC(C)C(=O)NC5=C(C=CC(=C5)Cl)OC

DOS

IR

Vibrations