Geometry & MOs

Info

ID:	197204
PubChem CID:	78937940
Reduced:	ClNOC14H22 (1)
Stoich.:	ABCD14E22 (1)
Weight, g/mol:	364.0245
ΔH_f, kcal/mol:	-60.89
Dipole, Da:	3.34
IP(EA), eV:	-8.81(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[(1R)-1-aminoethyl]-2-bromophenyl]sulfanylphenyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)OCCCC(C)C)Cl)N

DOS

IR

Vibrations