Geometry & MOs

Info

ID:	120935
PubChem CID:	50751133
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	470.130714
ΔH_f, kcal/mol:	6.34
Dipole, Da:	2.4
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)NC(=O)CN4CCCC4

DOS

IR

Vibrations