Geometry & MOs

Info

ID:	336075
PubChem CID:	127255082
Reduced:	SN2O2C9H11 (2)
Stoich.:	AB2C2D9E11 (2)
Weight, g/mol:	310.154209
ΔH_f, kcal/mol:	-95.11
Dipole, Da:	11.79
IP(EA), eV:	-7.92(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-N-quinolin-5-yl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)CCN1CC(=O)C(=C1N)C2=NC(=CS2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations