Geometry & MOs

Info

ID:

417916

PubChem CID:

135103058

Reduced:

SF2N7O7C36H43 (1)

Stoich.:

AB2C7D7E36F43 (1)

Weight, g/mol:

343.237211

ΔHf, kcal/mol:

-337.15

Dipole, Da:

9.93

IP(EA), eV:

 -9.19(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)OC(F)F)C)C)C(C)C

DOS

IR

Vibrations