Geometry & MOs

Info

ID:	184823
PubChem CID:	77214353
Reduced:	N3O4C23H31 (1)
Stoich.:	A3B4C23D31 (1)
Weight, g/mol:	794.219255
ΔH_f, kcal/mol:	-150.58
Dipole, Da:	3.74
IP(EA), eV:	-8.73(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[[2-[4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-2-yl]phenyl]methyl] but-2-enedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2CC3CC3N2CC1C(=O)NC4C(CC5=CC=CC=C45)O

DOS

IR

Vibrations