Geometry & MOs

Info

ID:	303729
PubChem CID:	124490107
Reduced:	SN4O5C20H28 (1)
Stoich.:	AB4C5D20E28 (1)
Weight, g/mol:	436.178041
ΔH_f, kcal/mol:	-184.61
Dipole, Da:	4.94
IP(EA), eV:	-9.63(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N=C3)CC(=O)NCCCOC

DOS

IR

Vibrations