Geometry & MOs

Info

ID:	324265
PubChem CID:	126677269
Reduced:	BrClPN4O12C31H43 (1)
Stoich.:	ABCD4E12F31G43 (1)
Weight, g/mol:	254.13068
ΔH_f, kcal/mol:	-603.75
Dipole, Da:	4.84
IP(EA), eV:	-9.74(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-2-methyl-9-methylidene-1,10-dihydrophenanthren-2-ol

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(Cl)Br)OC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)OC3=CC=CC=C3

DOS

IR

Vibrations