Geometry & MOs

Info

ID:	173446
PubChem CID:	75639579
Reduced:	ClOSN5C23H24 (1)
Stoich.:	ABCD5E23F24 (1)
Weight, g/mol:	482.165558
ΔH_f, kcal/mol:	54.92
Dipole, Da:	4.59
IP(EA), eV:	-8.66(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylsulfanyl]-7-[4-(diethylamino)phenyl]-5-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=NC(=NN2C(C1C(=O)N)C3=CC=C(C=C3)C(C)C)SCC4=CC=CC=C4Cl

DOS

IR

Vibrations