Geometry & MOs

Info

ID:

164634

PubChem CID:

74429592

Reduced:

SN2F3O5C26H33 (1)

Stoich.:

AB2C3D5E26F33 (1)

Weight, g/mol:

687.376262

ΔHf, kcal/mol:

-339.43

Dipole, Da:

10.66

IP(EA), eV:

 -9.23(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[2-[(4-chlorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl-methylamino]-4-[[4-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-2-yl]methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C=C(C)C(F)(F)F)O)S(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations