Geometry & MOs

Info

ID:	172732
PubChem CID:	75545182
Reduced:	FN4O4C24H33 (1)
Stoich.:	AB4C4D24E33 (1)
Weight, g/mol:	470.289306
ΔH_f, kcal/mol:	-247.7
Dipole, Da:	6.74
IP(EA), eV:	-8.88(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[2-(butan-2-ylamino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-(4-methylphenyl)pentanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCCCN1C(=O)C2CCCCC2N(C1=O)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations