Geometry & MOs

Info

ID:	33829
PubChem CID:	7888312
Reduced:	OS2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	31.33
Dipole, Da:	3.94
IP(EA), eV:	-8.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)N(C)C

DOS

IR

Vibrations