Geometry & MOs

Info

ID:

441595

PubChem CID:

135236606

Reduced:

ClFS2O3N4H20C23 (1)

Stoich.:

ABC2D3E4F20G23 (1)

Weight, g/mol:

580.300933

ΔHf, kcal/mol:

-73.8

Dipole, Da:

6.79

IP(EA), eV:

 -8.92(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[5-[(2-cyano-4,4-dimethylpent-2-enoyl)amino]-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)CC4CCSS4=O

DOS

IR

Vibrations