Geometry & MOs

Info

ID:	39940
PubChem CID:	8143235
Reduced:	OSCl2N2H14C20 (1)
Stoich.:	ABC2D2E14F20 (1)
Weight, g/mol:	375.190654
ΔH_f, kcal/mol:	44.17
Dipole, Da:	0.89
IP(EA), eV:	-8.73(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[[2-[2-methoxyethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CSC(=N2)C3=CC4=CC(=CC(=C4OC3=N)Cl)Cl)C

DOS

IR

Vibrations