Geometry & MOs

Info

ID:	346792
PubChem CID:	127271296
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-166.88
Dipole, Da:	3.8
IP(EA), eV:	-9.53(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(oxolan-2-yl)propan-2-yl]-4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations