Geometry & MOs

Info

ID:	144399
PubChem CID:	53361430
Reduced:	ClNO2H16C21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	388.297745
ΔH_f, kcal/mol:	-9.58
Dipole, Da:	3.55
IP(EA), eV:	-8.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-4-[(1S,2S,4R,6S,8S,11R,12S,15R,16R)-2,16-dimethyl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-yl]pentanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC3=CC=CC=C3C(=O)N2CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations