Geometry & MOs

Info

ID:	361720
PubChem CID:	127304535
Reduced:	SN4O4C16H26 (1)
Stoich.:	AB4C4D16E26 (1)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	-144.84
Dipole, Da:	5.09
IP(EA), eV:	-9.07(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)CN3CCS(=O)(=O)CC3)C

DOS

IR

Vibrations