Geometry & MOs

Info

ID:

215664

PubChem CID:

85085050

Reduced:

S2O11N16C50H82 (1)

Stoich.:

A2B11C16D50E82 (1)

Weight, g/mol:

1146.532256

ΔHf, kcal/mol:

-510.53

Dipole, Da:

9.46

IP(EA), eV:

 -8.83(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methyl]-3-[3-[[6-oxo-3,4,5-tris(phenylmethoxy)-1-propylpiperidin-2-yl]methylcarbamothioylamino]cyclobutyl]thiourea

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CS)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)NC(=O)CC3(CCCCC3)S

DOS

IR

Vibrations