Geometry & MOs

Info

ID:	303733
PubChem CID:	124490111
Reduced:	SN4O4C21H30 (1)
Stoich.:	AB4C4D21E30 (1)
Weight, g/mol:	434.198777
ΔH_f, kcal/mol:	-160.45
Dipole, Da:	3.8
IP(EA), eV:	-9.68(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-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)NCCC(C)C

DOS

IR

Vibrations