Geometry & MOs

Info

ID:	436603
PubChem CID:	135205969
Reduced:	ClF3O4N6H20C27 (1)
Stoich.:	AB3C4D6E20F27 (1)
Weight, g/mol:	344.198759
ΔH_f, kcal/mol:	-160.12
Dipole, Da:	6.29
IP(EA), eV:	-8.96(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1,9-dicarboxylic acid

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC2=NC=CN=C2C=C1)N3C=C(C(=CC3=O)C4=C(C=CC(=C4)Cl)C5=NN=C(O5)C(F)(F)F)OC

DOS

IR

Vibrations