Geometry & MOs

Info

ID:	133371
PubChem CID:	51516736
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	290.044477
ΔH_f, kcal/mol:	-74.66
Dipole, Da:	1.97
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(7S)-7-[(4-chlorophenyl)carbamoyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-olate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)[C@H]5CC=CC[C@@H]5C4=O

DOS

IR

Vibrations