Geometry & MOs

Info

ID:	138950
PubChem CID:	52448361
Reduced:	SN2O4H18C24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	325.171165
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	6.16
IP(EA), eV:	-8.35(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-butylsulfanyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NC(=C(S2)C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

DOS

IR

Vibrations