Geometry & MOs

Info

ID:	138992
PubChem CID:	52456214
Reduced:	NS2C23H27 (1)
Stoich.:	AB2C23D27 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	21.23
Dipole, Da:	3.66
IP(EA), eV:	-8.42(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-(3-methylbutyl)-2,4-dioxoquinazolin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1CCC2=C(C1)C(=C3C4=C(CCCC4)SC3=N2)C5=CC=CS5

DOS

IR

Vibrations