Geometry & MOs

Info

ID:	64497
PubChem CID:	29201681
Reduced:	SN6O6C14H14 (1)
Stoich.:	AB6C6D14E14 (1)
Weight, g/mol:	451.159949
ΔH_f, kcal/mol:	-100.85
Dipole, Da:	4.84
IP(EA), eV:	-9.24(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-methylacetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-]

DOS

IR

Vibrations