Geometry & MOs

Info

ID:	132646
PubChem CID:	51392125
Reduced:	F2N7H17C22 (1)
Stoich.:	A2B7C17D22 (1)
Weight, g/mol:	377.000178
ΔH_f, kcal/mol:	96.21
Dipole, Da:	5.32
IP(EA), eV:	-8.5(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-5-(2-chlorophenyl)-7-(2,6-dichlorophenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1[C@@H](N=C2C(=C3NN4C=NC5=CC=CC=C5C4=N3)C=NN2[C@@H]1C(F)F)C6=CC=CC=C6

DOS

IR

Vibrations