Geometry & MOs

Info

ID:	364347
PubChem CID:	127315487
Reduced:	O2S2N3C19H23 (1)
Stoich.:	A2B2C3D19E23 (1)
Weight, g/mol:	386.141262
ΔH_f, kcal/mol:	-56.0
Dipole, Da:	7.82
IP(EA), eV:	-8.43(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-oxo-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C2C(=C(SC2=NC=C1)C(=O)N3CCCC3C(=O)N4CCSCC4)C

DOS

IR

Vibrations