Geometry & MOs

Info

ID:	37263
PubChem CID:	8018969
Reduced:	FN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	414.099791
ΔH_f, kcal/mol:	-114.85
Dipole, Da:	2.19
IP(EA), eV:	-9.28(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)N(C)CC3=CC(=CC=C3)F

DOS

IR

Vibrations