Geometry & MOs

Info

ID:	166320
PubChem CID:	74670237
Reduced:	ClN4O4H21C22 (1)
Stoich.:	AB4C4D21E22 (1)
Weight, g/mol:	421.203528
ΔH_f, kcal/mol:	-54.99
Dipole, Da:	10.63
IP(EA), eV:	-8.64(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-6-sulfonamide

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=CC(C(=CC2=N1)OC)OC)C(=O)C3=CC4=C(N3)C=CC(=C4)Cl

DOS

IR

Vibrations