Geometry & MOs

Info

ID:	427057
PubChem CID:	135155260
Reduced:	BrSF2N3O4C31H36 (1)
Stoich.:	ABC2D3E4F31G36 (1)
Weight, g/mol:	360.160456
ΔH_f, kcal/mol:	-206.36
Dipole, Da:	6.65
IP(EA), eV:	-8.58(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-methoxy-3-[(1-methylpyrrolidin-3-yl)methoxy]-7,8,9,10-tetrahydrophenanthridine

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)NC(C(=O)N3C4CCC3CC(C4)N(C)C)C(C5=CC=C(C=C5)Br)(F)F

DOS

IR

Vibrations