Geometry & MOs

Info

ID:	124174
PubChem CID:	50873947
Reduced:	BrSN2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	58.88
Dipole, Da:	2.31
IP(EA), eV:	-8.55(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)SC(=N2)C3=CC(=C(C=C3)N)Br

DOS

IR

Vibrations