Geometry & MOs

Info

ID:	165370
PubChem CID:	74541334
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	408.105625
ΔH_f, kcal/mol:	-97.37
Dipole, Da:	2.96
IP(EA), eV:	-8.76(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SCCC(=O)N(C)CC2NC3CCCCC3C(=O)N2)C

DOS

IR

Vibrations