Geometry & MOs

Info

ID:

215679

PubChem CID:

85085072

Reduced:

S2O14N19C45H77 (1)

Stoich.:

A2B14C19D45E77 (1)

Weight, g/mol:

1173.509067

ΔHf, kcal/mol:

-621.59

Dipole, Da:

13.56

IP(EA), eV:

 -9.23(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-chloro-6-[[6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamoylamino]-1,3,5-triazin-2-yl]-3-[[6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]urea

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CS)C(=O)NC(C)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)(C)S)NC(=O)CN

DOS

IR

Vibrations