Geometry & MOs

Info

ID:	131414
PubChem CID:	51201729
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	352.135782
ΔH_f, kcal/mol:	4.02
Dipole, Da:	5.54
IP(EA), eV:	-8.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-phenylsulfanyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)/C=C/C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations