Geometry & MOs

Info

ID:	386794
PubChem CID:	134982950
Reduced:	N2S2O7C26H40 (1)
Stoich.:	A2B2C7D26E40 (1)
Weight, g/mol:	520.19196
ΔH_f, kcal/mol:	-218.17
Dipole, Da:	8.55
IP(EA), eV:	-8.77(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-acetyloxy-3-(benzenesulfonyl)-7,8,10,12-tetramethyl-1,2,3,4-tetrahydrobenzo[a]heptalen-2-yl] acetate

Drug info:

PubChemData

Smile

CC1=C[C@@H]([C@H](C2=C(OC3(C2C1C=C(C=C3)C(C)C)C)CCS(=O)(=O)N(C)C)C(=O)OC)S(=O)(=O)N(C)C

DOS

IR

Vibrations