Geometry & MOs

Info

ID:	382257
PubChem CID:	134973306
Reduced:	O2S2N3C24H29 (1)
Stoich.:	A2B2C3D24E29 (1)
Weight, g/mol:	359.99972
ΔH_f, kcal/mol:	-42.21
Dipole, Da:	6.62
IP(EA), eV:	-8.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-bromo-5-methoxyphenyl)methoxy]chromen-2-one

Drug info:

PubChemData

Smile

CC(=C1C2=C(C(=C(C)C)SS1)C(N3C(=O)N(C(=O)N3C2(C)C)C4=CC=CC=C4)(C)C)C

DOS

IR

Vibrations