Geometry & MOs

Info

ID:	33834
PubChem CID:	7888358
Reduced:	O2S2N3H15C17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	414.134635
ΔH_f, kcal/mol:	-21.02
Dipole, Da:	4.11
IP(EA), eV:	-8.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 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)C

DOS

IR

Vibrations