Geometry & MOs

Info

ID:	156596
PubChem CID:	56371289
Reduced:	S2O5N6C18H24 (1)
Stoich.:	A2B5C6D18E24 (1)
Weight, g/mol:	440.188212
ΔH_f, kcal/mol:	-64.67
Dipole, Da:	4.98
IP(EA), eV:	-9.11(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[bis(4-methoxyphenyl)methyl]-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations