Geometry & MOs

Info

ID:

423522

PubChem CID:

135119669

Reduced:

S2N5O7C31H41 (1)

Stoich.:

A2B5C7D31E41 (1)

Weight, g/mol:

415.201968

ΔHf, kcal/mol:

-266.68

Dipole, Da:

3.84

IP(EA), eV:

 -8.83(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)C2=C3C(=CS2)OCCO3)CC4=CC=CC=C4

DOS

IR

Vibrations