Geometry & MOs

Info

ID:	133050
PubChem CID:	51468108
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	371.078517
ΔH_f, kcal/mol:	-9.69
Dipole, Da:	3.54
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCC[C@@H](C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations