Geometry & MOs

Info

ID:

189577

PubChem CID:

77875749

Reduced:

S3N5O9C27H31 (1)

Stoich.:

A3B5C9D27E31 (1)

Weight, g/mol:

645.245911

ΔHf, kcal/mol:

-271.93

Dipole, Da:

3.67

IP(EA), eV:

 -9.07(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[[1-[diphenyl-(2-trimethylsilylphenyl)methyl]-2-(fluoromethyl)imidazol-4-yl]methyl]-1,4-dioxo-2H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)OCCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(C3=CC=CC=C3C(=O)C(C)N)O)CSC4=NN=C(S4)C

DOS

IR

Vibrations