Geometry & MOs

Info

ID:	68398
PubChem CID:	46508336
Reduced:	ClN3O5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	450.208947
ΔH_f, kcal/mol:	-161.23
Dipole, Da:	2.69
IP(EA), eV:	-9.68(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-ethyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1=CC=CC=C1)C(=O)COC(=O)C2=C(N(N=C2C)C)Cl

DOS

IR

Vibrations