Geometry & MOs

Info

ID:	136875
PubChem CID:	52117610
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-13.18
Dipole, Da:	5.13
IP(EA), eV:	-9.11(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)NCC3=CC=CS3)C

DOS

IR

Vibrations