Geometry & MOs

Info

ID:	308006
PubChem CID:	125311723
Reduced:	O4N6C23H26 (1)
Stoich.:	A4B6C23D26 (1)
Weight, g/mol:	401.173942
ΔH_f, kcal/mol:	-70.38
Dipole, Da:	8.1
IP(EA), eV:	-8.64(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NC(=NC(=O)C1)N2C(=CC(=N2)C)NC(=O)[C@H]3CC(=O)N(C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations