Geometry & MOs

Info

ID:	312823
PubChem CID:	126608921
Reduced:	BrNSO3C7H8 (1)
Stoich.:	ABCD3E7F8 (1)
Weight, g/mol:	473.231456
ΔH_f, kcal/mol:	-102.99
Dipole, Da:	6.59
IP(EA), eV:	-9.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-ethyl-4-[[3-ethyl-5-methyl-4-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]methyl]-6-methylphenyl]pyrrole-2,5-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)S(=O)(=O)O)N

DOS

IR

Vibrations