Geometry & MOs

Info

ID:	200587
PubChem CID:	79414297
Reduced:	NOSC15H23 (1)
Stoich.:	ABCD15E23 (1)
Weight, g/mol:	302.99286
ΔH_f, kcal/mol:	-45.06
Dipole, Da:	1.45
IP(EA), eV:	-8.28(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-2,3-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine

Drug info:

PubChemData

Smile

CC1C(SC2=C(C1NC(C)C)C=CC=C2OC)C

DOS

IR

Vibrations