Geometry & MOs

Info

ID:

83256

PubChem CID:

49857359

Reduced:

ON7C25H27 (1)

Stoich.:

AB7C25D27 (1)

Weight, g/mol:

788.34934

ΔHf, kcal/mol:

64.6

Dipole, Da:

4.17

IP(EA), eV:

 -8.8(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-4-methoxy-1-[(2S)-2-[5-[4-[3-[[(2S)-1-[(2S)-4-methoxy-2-(methoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]-1,2-benzoxazol-5-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C2=NC=C(N2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C(=NN5)NC(=O)[C@@H]6CCCN6

DOS

IR

Vibrations