Geometry & MOs

Info

ID:	392779
PubChem CID:	135017939
Reduced:	NSO4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	350.163043
ΔH_f, kcal/mol:	-115.5
Dipole, Da:	4.24
IP(EA), eV:	-8.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,12bR)-2-methyl-3-oxo-2,12b-dihydroimidazo[1,2-f]phenanthridine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C=CC(=C3CC(=O)C)OC)C

DOS

IR

Vibrations