Geometry & MOs

Info

ID:	163251
PubChem CID:	57655093
Reduced:	SN3C17H33 (1)
Stoich.:	AB3C17D33 (1)
Weight, g/mol:	400.178693
ΔH_f, kcal/mol:	-41.59
Dipole, Da:	4.69
IP(EA), eV:	-8.48(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-amino-6-tert-butyliminoxanthen-9-yl)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)C[C@H]1CCN2CC[C@@H](NC2=N1)CSC(C)(C)C

DOS

IR

Vibrations