Geometry & MOs

Info

ID:	86154
PubChem CID:	49882201
Reduced:	OSN2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	364.139154
ΔH_f, kcal/mol:	15.4
Dipole, Da:	5.06
IP(EA), eV:	-8.93(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CO1)SC2=NN=C(N2C)CSC3=CC=CC=C3

DOS

IR

Vibrations