Geometry & MOs

Info

ID:	31224
PubChem CID:	855263
Reduced:	SN2O3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-131.35
Dipole, Da:	1.4
IP(EA), eV:	-9.41(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations