Geometry & MOs

Info

ID:	36709
PubChem CID:	8011621
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	20.62
Dipole, Da:	3.9
IP(EA), eV:	-9.4(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

C1CC1C2=NN=C(S2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations