Geometry & MOs

Info

ID:	44575
PubChem CID:	10504137
Reduced:	FN3O5C24H30 (1)
Stoich.:	AB3C5D24E30 (1)
Weight, g/mol:	460.04356
ΔH_f, kcal/mol:	-238.49
Dipole, Da:	13.25
IP(EA), eV:	-8.9(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,11R,12S,15S,16S)-5,5-dibromo-6-methoxy-16-methylpentacyclo[9.7.0.02,8.04,6.012,16]octadec-2(8)-en-15-ol

Drug info:

PubChemData

Smile

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC(C4)(C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations