Geometry & MOs

Info

ID:	62814
PubChem CID:	26737002
Reduced:	S2N3O4C22H25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	383.122969
ΔH_f, kcal/mol:	-123.75
Dipole, Da:	1.09
IP(EA), eV:	-8.04(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CCSCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OC

DOS

IR

Vibrations