Geometry & MOs

Info

ID:	83698
PubChem CID:	49860239
Reduced:	ClNO2C23H32 (1)
Stoich.:	ABC2D23E32 (1)
Weight, g/mol:	375.196507
ΔH_f, kcal/mol:	-117.27
Dipole, Da:	3.3
IP(EA), eV:	-8.74(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S)-17-(cyclopropylmethyl)-11-ethyl-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;hydrochloride

Drug info:

PubChemData

Smile

CC[C@H]1CC(=O)CC23C1C(CC4=C2C=C(C=C4)O)N(CC3)CC5CCC5.Cl

DOS

IR

Vibrations