Geometry & MOs

Info

ID:	33777
PubChem CID:	7888069
Reduced:	S2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	67.35
Dipole, Da:	4.15
IP(EA), eV:	-8.73(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclopentylamino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)S[C@@H](C)C#N

DOS

IR

Vibrations