Geometry & MOs

Info

ID:	307503
PubChem CID:	125307155
Reduced:	O3N6C12H16 (1)
Stoich.:	A3B6C12D16 (1)
Weight, g/mol:	556.211055
ΔH_f, kcal/mol:	-32.22
Dipole, Da:	4.66
IP(EA), eV:	-9.8(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(9S,10R,15R)-10-(4-methoxyphenyl)-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,7-tetraen-13-yl]benzamide

Drug info:

PubChemData

Smile

C1C[C@H](CC=C1)/C=N\NC(=O)CN[C@H]2C(=O)NC(=O)N=N2

DOS

IR

Vibrations