Geometry & MOs

Info

ID:	35183
PubChem CID:	7979438
Reduced:	SN2O4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	381.081698
ΔH_f, kcal/mol:	-127.56
Dipole, Da:	4.6
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC(=O)[C@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations