Geometry & MOs

Info

ID:	384370
PubChem CID:	134976863
Reduced:	N2O2H24C31 (1)
Stoich.:	A2B2C24D31 (1)
Weight, g/mol:	421.210922
ΔH_f, kcal/mol:	74.26
Dipole, Da:	2.18
IP(EA), eV:	-8.8(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,4R)-5,5,9,9,12,12,16,16-octamethyl-7,14-dithia-2-azatetracyclo[9.5.0.01,4.04,10]hexadeca-2,10-diene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=N/N(C2=C(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations