Geometry & MOs

Info

ID:	303732
PubChem CID:	124490110
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	434.198777
ΔH_f, kcal/mol:	-179.5
Dipole, Da:	2.41
IP(EA), eV:	-8.82(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-2-[6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxoquinazolin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@H]([C@@H](CC[C@@]1(C2=CC=C(C=C2)OC)O)C(=O)O)C

DOS

IR

Vibrations