Geometry & MOs

Info

ID:	303728
PubChem CID:	124490106
Reduced:	BrO2C11H19 (1)
Stoich.:	AB2C11D19 (1)
Weight, g/mol:	436.178041
ΔH_f, kcal/mol:	-127.31
Dipole, Da:	2.67
IP(EA), eV:	-10.61(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@H]1CCC[C@@H](C1)C)Br

DOS

IR

Vibrations