Geometry & MOs

Info

ID:	33825
PubChem CID:	7888305
Reduced:	OSN2C10H11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-40.14
Dipole, Da:	5.38
IP(EA), eV:	-8.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-methoxyphenyl)-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)NC(=O)NC(C)(C)C

DOS

IR

Vibrations