Geometry & MOs

Info

ID:	160066
PubChem CID:	57304579
Reduced:	SN4O4C13H14 (1)
Stoich.:	AB4C4D13E14 (1)
Weight, g/mol:	532.07462
ΔH_f, kcal/mol:	-66.44
Dipole, Da:	1.74
IP(EA), eV:	-9.19(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[C-(4-bromophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbonimidoyl]-5-nitro-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)C=CC3=CN(N=N3)C)C(=O)O)O

DOS

IR

Vibrations