Geometry & MOs

Info

ID:	84002
PubChem CID:	49863157
Reduced:	BrSF2O2N3C18H20 (1)
Stoich.:	ABC2D2E3F18G20 (1)
Weight, g/mol:	528.227374
ΔH_f, kcal/mol:	-124.87
Dipole, Da:	7.24
IP(EA), eV:	-8.83(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylphenanthridin-8-yl)-3-[2-[(6-methylphenanthridin-8-yl)carbamoylamino]ethyl]urea

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC2=CC(=CC=C2)S(=O)(=O)NC3=C(C=C(C=C3Br)F)F

DOS

IR

Vibrations