Geometry & MOs

Info

ID:	374364
PubChem CID:	131327450
Reduced:	NSO2C9H13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	298.9728
ΔH_f, kcal/mol:	-42.61
Dipole, Da:	4.8
IP(EA), eV:	-9.25(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromoquinazolin-4-yl)-methyl-methylimino-oxo-lambda6-sulfane

Drug info:

PubChemData

Smile

CC(C)S(=N)(=O)C1=CC=CC(=C1)O

DOS

IR

Vibrations