Geometry & MOs

Info

ID:	86138
PubChem CID:	49882137
Reduced:	S2N5O5C29H29 (1)
Stoich.:	A2B5C5D29E29 (1)
Weight, g/mol:	391.059524
ΔH_f, kcal/mol:	-68.35
Dipole, Da:	7.77
IP(EA), eV:	-8.87(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)S(=O)(=O)N6CCCC6

DOS

IR

Vibrations