Geometry & MOs

Info

ID:	41838
PubChem CID:	8147221
Reduced:	OSN3C24H25 (1)
Stoich.:	ABC3D24E25 (1)
Weight, g/mol:	403.171834
ΔH_f, kcal/mol:	34.27
Dipole, Da:	6.56
IP(EA), eV:	-9.13(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)N[C@H](C3=CC=C(C=C3)C(C)C)C4=CC=CS4

DOS

IR

Vibrations