Geometry & MOs

Info

ID:	173287
PubChem CID:	75618459
Reduced:	SN2O3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-49.6
Dipole, Da:	5.78
IP(EA), eV:	-8.54(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)propanamide

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C=CC3=CC=CS3

DOS

IR

Vibrations