Geometry & MOs

Info

ID:	320839
PubChem CID:	126663843
Reduced:	NOSC8H11 (1)
Stoich.:	ABCD8E11 (1)
Weight, g/mol:	595.214149
ΔH_f, kcal/mol:	-3.16
Dipole, Da:	3.09
IP(EA), eV:	-8.62(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11-trihydroxy-12a-methoxy-3,12-dioxo-8-[[[(3R)-oxolan-3-yl]amino]methyl]-7-(trifluoromethyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)NCC1=CC=CC=C1

DOS

IR

Vibrations