Geometry & MOs

Info

ID:	170046
PubChem CID:	75187844
Reduced:	SO3N4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	382.109962
ΔH_f, kcal/mol:	8.8
Dipole, Da:	1.24
IP(EA), eV:	-9.11(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)sulfanyl]-N-(4-phenyl-1,2-oxazol-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2C(=NC(=NC2=O)SCC(=O)NC3=C(C=NO3)C4=CC=CC=C4)C1

DOS

IR

Vibrations