Geometry & MOs

Info

ID:	121307
PubChem CID:	50762502
Reduced:	ClN3O4H22C28 (1)
Stoich.:	AB3C4D22E28 (1)
Weight, g/mol:	516.273656
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	6.52
IP(EA), eV:	-9.32(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)CC(=O)NCC5=CC=CO5)Cl

DOS

IR

Vibrations