Geometry & MOs

Info

ID:	184056
PubChem CID:	77104855
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	423.277344
ΔH_f, kcal/mol:	-47.45
Dipole, Da:	3.49
IP(EA), eV:	-9.83(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R,10S,12S)-12-(cyclohexylmethyl)-17-(cyclopropylmethyl)-4,10-dihydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one

Drug info:

PubChemData

Smile

C1C(CC1O)NC(=O)C2C3=CC=CC=C3C(=O)N=N2

DOS

IR

Vibrations