Geometry & MOs

Info

ID:	38187
PubChem CID:	8027924
Reduced:	ClN3O4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	367.083602
ΔH_f, kcal/mol:	-135.55
Dipole, Da:	8.84
IP(EA), eV:	-8.35(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-N-(3-chlorophenyl)-5-oxo-2-phenyl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)N2C(=O)C3=CC=CC=C3NC2=O

DOS

IR

Vibrations