Geometry & MOs

Info

ID:	151670
PubChem CID:	56261064
Reduced:	SN2O4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	444.93473
ΔH_f, kcal/mol:	-76.08
Dipole, Da:	2.8
IP(EA), eV:	-8.81(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-bromo-2,5-dimethylfuran-3-carbonyl)amino]-2-(4-bromophenyl)acetate

Drug info:

PubChemData

Smile

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC=C(C=C3)OCC#C

DOS

IR

Vibrations