Geometry & MOs

Info

ID:

312178

PubChem CID:

126603464

Reduced:

NC4H7 (4)

Stoich.:

AB4C7 (4)

Weight, g/mol:

776.338976

ΔHf, kcal/mol:

-2.68

Dipole, Da:

2.55

IP(EA), eV:

 -8.47(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methylpropyl 4-[[1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)NC1CCN(CC1)C2=NC=C(C=N2)C(C)(C)C

DOS

IR

Vibrations