Geometry & MOs

Info

ID:	151678
PubChem CID:	56261096
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	433.02733
ΔH_f, kcal/mol:	-64.19
Dipole, Da:	6.86
IP(EA), eV:	-8.92(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-bromophenyl)-2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]acetate

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)NCCC2=CC=C(C=C2)OCC#C)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations