Geometry & MOs

Info

ID:	54374
PubChem CID:	17137090
Reduced:	SO3N7C18H19 (1)
Stoich.:	AB3C7D18E19 (1)
Weight, g/mol:	418.086639
ΔH_f, kcal/mol:	-6.08
Dipole, Da:	4.88
IP(EA), eV:	-9.19(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-methoxyphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1C2=C(N=C1SC3=NN=C(N3C4=CC=CC=C4)COC)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations