Geometry & MOs

Info

ID:	84274
PubChem CID:	49865189
Reduced:	SCl3N7H22C30 (1)
Stoich.:	AB3C7D22E30 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	208.07
Dipole, Da:	7.05
IP(EA), eV:	-9.41(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(3-methoxyphenyl)sulfanylpropyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(CC2)C3=NN=C(S3)C4=NN(C(=C4CN5C=NC=N5)C6=CC=C(C=C6)Cl)C7=C(C=C(C=C7)Cl)Cl

DOS

IR

Vibrations