Geometry & MOs

Info

ID:

420150

PubChem CID:

135111424

Reduced:

SN7O7C37H47 (1)

Stoich.:

AB7C7D37E47 (1)

Weight, g/mol:

330.205576

ΔHf, kcal/mol:

-186.44

Dipole, Da:

11.53

IP(EA), eV:

 -8.16(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)N2CCN(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C3=CSC(=N3)[C@@H](NC(=O)C2)CC4=CC=CC=C4)C)C(C)C)C)C

DOS

IR

Vibrations