Geometry & MOs

Info

ID:	135661
PubChem CID:	51911967
Reduced:	NSO5C21H29 (1)
Stoich.:	ABC5D21E29 (1)
Weight, g/mol:	405.039545
ΔH_f, kcal/mol:	-210.34
Dipole, Da:	3.81
IP(EA), eV:	-9.68(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@H]2C(=O)OCC3CCCCC3

DOS

IR

Vibrations