Geometry & MOs

Info

ID:	137841
PubChem CID:	52270744
Reduced:	NSCl2O2C14H17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-94.03
Dipole, Da:	3.03
IP(EA), eV:	-9.08(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-benzyl-1-cyclopropyl-N-(2-methylsulfonylethyl)ethanamine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC[C@H]1CCCO1)SC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations