Geometry & MOs

Info

ID:	308404
PubChem CID:	125326926
Reduced:	SO2N3C14H25 (1)
Stoich.:	AB2C3D14E25 (1)
Weight, g/mol:	555.236936
ΔH_f, kcal/mol:	-67.49
Dipole, Da:	5.26
IP(EA), eV:	-8.59(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,8R)-2-(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-10,12,14,16-tetraene-4,7-dione

Drug info:

PubChemData

Smile

CC(C)CCC1=NN=C(C1)C(=O)N[C@H](CCSC)CO

DOS

IR

Vibrations