Geometry & MOs

Info

ID:

297109

PubChem CID:

117609163

Reduced:

SO3N8C28H32 (1)

Stoich.:

AB3C8D28E32 (1)

Weight, g/mol:

877.398596

ΔHf, kcal/mol:

40.38

Dipole, Da:

9.18

IP(EA), eV:

 -8.01(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3R,4R)-3-[[[(R)-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methyl]-[[(2S)-1-[3-[(2,5-dioxopyrrol-1-yl)methyl]azetidine-1-carbonyl]oxypropan-2-yl]carbamoyl]amino]methyl]-4-fluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=NN(C=C4)C)/C=C/S(=O)(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations