Geometry & MOs

Info

ID:	327299
PubChem CID:	126689447
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	514.188606
ΔH_f, kcal/mol:	-28.68
Dipole, Da:	1.95
IP(EA), eV:	-9.57(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[7-[4-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC1CC1CCC(C2=CC=CC=C2)O

DOS

IR

Vibrations