Geometry & MOs

Info

ID:	448437
PubChem CID:	135290917
Reduced:	NOC14H25 (1)
Stoich.:	ABC14D25 (1)
Weight, g/mol:	561.348795
ΔH_f, kcal/mol:	-83.38
Dipole, Da:	2.8
IP(EA), eV:	-8.81(2.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-(methanesulfonamido)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)NC1C2CC3CC1CC(C3)(C2)OC

DOS

IR

Vibrations