Geometry & MOs

Info

ID:	245379
PubChem CID:	99444102
Reduced:	OSN4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	449.09502
ΔH_f, kcal/mol:	57.98
Dipole, Da:	4.65
IP(EA), eV:	-8.83(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCC1=NC2=CC=CC=C2N1CC(=O)NCC3=CC=C(C=C3)C#N

DOS

IR

Vibrations