Geometry & MOs

Info

ID:	68301
PubChem CID:	46508142
Reduced:	SO2N5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	375.133139
ΔH_f, kcal/mol:	45.87
Dipole, Da:	4.53
IP(EA), eV:	-9.04(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C(=NN=N2)SC(C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations