Geometry & MOs

Info

ID:	50020
PubChem CID:	11538779
Reduced:	ClFSO2N5C17H17 (1)
Stoich.:	ABCD2E5F17G17 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	-64.45
Dipole, Da:	3.21
IP(EA), eV:	-8.72(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(9-ethoxy-2-hydroxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CN(C1=C(C=C(C=C1)Cl)F)C2=NC3=C(C=C2)N=C(S3)NC(=O)NCCCO

DOS

IR

Vibrations