Geometry & MOs

Info

ID:	140604
PubChem CID:	52728911
Reduced:	BrN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	393.116542
ΔH_f, kcal/mol:	-119.11
Dipole, Da:	7.77
IP(EA), eV:	-8.81(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations