Geometry & MOs

Info

ID:	60494
PubChem CID:	26697092
Reduced:	SN3O4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	317.161366
ΔH_f, kcal/mol:	-44.78
Dipole, Da:	5.62
IP(EA), eV:	-8.94(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-morpholin-4-ium-4-ylethyl)-2-(4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCN3CCOCC3)[N+](=O)[O-]

DOS

IR

Vibrations