Geometry & MOs

Info

ID:	139733
PubChem CID:	52586052
Reduced:	SO2N4C25H30 (1)
Stoich.:	AB2C4D25E30 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-38.85
Dipole, Da:	2.5
IP(EA), eV:	-8.81(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C(=O)N4C[C@@H](C[C@@H](C4)C)C

DOS

IR

Vibrations