Geometry & MOs

Info

ID:	135158
PubChem CID:	51826519
Reduced:	SN2O5C28H32 (1)
Stoich.:	AB2C5D28E32 (1)
Weight, g/mol:	498.251858
ΔH_f, kcal/mol:	-162.28
Dipole, Da:	7.49
IP(EA), eV:	-9.13(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenanthren-9-ylethyl]-2,6-dihydroxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)N(C(=O)C3=CC=C(C=C3)O)C(C)(C)C

DOS

IR

Vibrations