Geometry & MOs

Info

ID:

47330

PubChem CID:

10531620

Reduced:

MnO2N3C36H40 (1)

Stoich.:

AB2C3D36E40 (1)

Weight, g/mol:

600.312327

ΔHf, kcal/mol:

119.53

Dipole, Da:

7.4

IP(EA), eV:

 -6.59(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[(2S)-2-[[(3S)-6-(benzylamino)-5,5-difluoro-2-methyl-4-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C1=C/C(=C/N[C@H]([C@@H](N/C=C/2\C(=O)C=CC(=C2)C(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)C=C1)(C)C.N#[Mn]

DOS

IR

Vibrations