Geometry & MOs

Info

ID:	143165
PubChem CID:	53156234
Reduced:	S2N3O3C21H27 (1)
Stoich.:	A2B3C3D21E27 (1)
Weight, g/mol:	419.159354
ΔH_f, kcal/mol:	-86.01
Dipole, Da:	4.8
IP(EA), eV:	-8.85(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(S3)CCN(C4)C(=O)C)C

DOS

IR

Vibrations