Geometry & MOs

Info

ID:	425404
PubChem CID:	135126202
Reduced:	BrSF2N2O2H17C20 (1)
Stoich.:	ABC2D2E2F17G20 (1)
Weight, g/mol:	382.141638
ΔH_f, kcal/mol:	-94.3
Dipole, Da:	4.3
IP(EA), eV:	-9.55(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]-5,7-dimethoxychromen-4-one

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H](OC[C@@]2(N=C(S1)NC(=O)C3=CC=CC=C3)C4=C(C=CC(=C4)Br)F)CF

DOS

IR

Vibrations