Geometry & MOs

Info

ID:	230930
PubChem CID:	87572270
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	496.178041
ΔH_f, kcal/mol:	-187.71
Dipole, Da:	4.03
IP(EA), eV:	-8.92(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[5-[3-tert-butyl-5-(2,4-dioxo-1H-pyrimidin-3-yl)-2-methoxyphenyl]-2,3-dihydroinden-1-ylidene]amino]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/N=C(\N)/N(C1=CC2=C(CCC2)C=C1)C(=O)OC(C)(C)C

DOS

IR

Vibrations