Geometry & MOs

Info

ID:	137842
PubChem CID:	52270794
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	353.222903
ΔH_f, kcal/mol:	-56.45
Dipole, Da:	5.05
IP(EA), eV:	-9.05(0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[(1S)-1-cyclopropylethyl]-[3-(2-methoxyanilino)-3-oxopropyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C1CC1)N(CCS(=O)(=O)C)CC2=CC=CC=C2

DOS

IR

Vibrations