Geometry & MOs

Info

ID:

83545

PubChem CID:

49857729

Reduced:

ClON3C24H26 (1)

Stoich.:

ABC3D24E26 (1)

Weight, g/mol:

699.312895

ΔHf, kcal/mol:

15.14

Dipole, Da:

6.65

IP(EA), eV:

 -8.46(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-[5-[4-[3-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-1H-indazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN(CC1=CC=CC=C1Cl)C2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations