Geometry & MOs

Info

ID:	449988
PubChem CID:	135302994
Reduced:	F2N3O7C16H23 (1)
Stoich.:	A2B3C7D16E23 (1)
Weight, g/mol:	446.293328
ΔH_f, kcal/mol:	-359.49
Dipole, Da:	1.41
IP(EA), eV:	-10.14(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S)-N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-6-[(1Z)-1-(2-methyl-1H-pyrrol-3-yl)buta-1,3-dienyl]spiro[2.6]nonane-9-carboxamide

Drug info:

PubChemData

Smile

COCC1(CCOCC1)OC(=O)C(ON2[C@@H]3CC[C@H](N(C3)C2=O)C(=O)N)(F)F

DOS

IR

Vibrations