Geometry & MOs

Info

ID:	218895
PubChem CID:	85090126
Reduced:	NO7C30H37 (1)
Stoich.:	AB7C30D37 (1)
Weight, g/mol:	523.144693
ΔH_f, kcal/mol:	-278.48
Dipole, Da:	7.26
IP(EA), eV:	-9.34(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-butan-2-ylfuran-2-yl)propylamino]-4-[(5-morpholin-4-ylsulfonyl-4-oxothiophen-3-yl)amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=CC=C1CC2C3CCC(C2C(=O)NC(CO)C(=O)OCC4=CC=CC=C4)O3)C(=O)OC

DOS

IR

Vibrations