Geometry & MOs

Info

ID:	7434
PubChem CID:	72614
Reduced:	ClNO6C18H26 (1)
Stoich.:	ABC6D18E26 (1)
Weight, g/mol:	387.144865
ΔH_f, kcal/mol:	-273.09
Dipole, Da:	3.99
IP(EA), eV:	-9.23(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,6R,7R,17R)-4-(1-chloroethyl)-4,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)(C(C)Cl)O

DOS

IR

Vibrations