Geometry & MOs

Info

ID:

377198

PubChem CID:

134223238

Reduced:

S2N11O11C45H61 (1)

Stoich.:

A2B11C11D45E61 (1)

Weight, g/mol:

666.278347

ΔHf, kcal/mol:

-265.78

Dipole, Da:

11.19

IP(EA), eV:

 -8.33(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3-dimethyl-19-phenyl-19-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4(9),5,7,11,13,15,17-nonaene

Drug info:

PubChemData

Smile

CC([C@H]1C(=O)N[C@@H](CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CCCCN)CC2=CC=C(C=C2)O)NC(=O)CCC3=CC=C(C=C3)[N+](=O)[O-])CN/N=C(\CCC4=CC=C(C=C4)O)/N)O

DOS

IR

Vibrations