Geometry & MOs

Info

ID:

179768

PubChem CID:

76528162

Reduced:

ClNH24C30 (1)

Stoich.:

ABC24D30 (1)

Weight, g/mol:

677.397476

ΔHf, kcal/mol:

104.53

Dipole, Da:

3.33

IP(EA), eV:

 -8.51(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethylpropyl N-[5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C=CC2=CC=CC=C2)C3=C(NC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations