Geometry & MOs

Info

ID:

419203

PubChem CID:

135107732

Reduced:

FSO6N7C36H44 (1)

Stoich.:

ABC6D7E36F44 (1)

Weight, g/mol:

351.19582

ΔHf, kcal/mol:

-252.21

Dipole, Da:

4.53

IP(EA), eV:

 -9.32(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone

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=C(C=CC(=C4)F)C)C)C)C(C)C

DOS

IR

Vibrations