Geometry & MOs

Info

ID:

170440

PubChem CID:

75233068

Reduced:

SN13O14C54H73 (1)

Stoich.:

AB13C14D54E73 (1)

Weight, g/mol:

352.189926

ΔHf, kcal/mol:

-568.09

Dipole, Da:

11.27

IP(EA), eV:

 -8.34(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-benzyl-6-morpholin-4-yl-1,3,5-triazinan-2-ylidene)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CO)N)O

DOS

IR

Vibrations