Geometry & MOs

Info

ID:	196360
PubChem CID:	78815039
Reduced:	ClOSN6C18H23 (1)
Stoich.:	ABCD6E18F23 (1)
Weight, g/mol:	445.076409
ΔH_f, kcal/mol:	57.21
Dipole, Da:	4.49
IP(EA), eV:	-9.03(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2N)SCC3=NC=C(N3C)Cl

DOS

IR

Vibrations