Geometry & MOs

Info

ID:

169168

PubChem CID:

75069625

Reduced:

ON4C38H42 (1)

Stoich.:

AB4C38D42 (1)

Weight, g/mol:

735.402956

ΔHf, kcal/mol:

54.94

Dipole, Da:

1.49

IP(EA), eV:

 -8.18(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[[3,3-dimethyl-2-[[2-(pent-4-enoylamino)-2-phenylacetyl]amino]butanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC=C1CN2CCC34C2CC1C5C3N(C=C(C5O)C6CC7C8=C(CCN7CC6=CC)C9=CC=CC=C9N8)C1=CC=CC=C41

DOS

IR

Vibrations