Geometry & MOs

Info

ID:

322419

PubChem CID:

126670099

Reduced:

O3N7C35H45 (1)

Stoich.:

A3B7C35D45 (1)

Weight, g/mol:

375.22704

ΔHf, kcal/mol:

18.75

Dipole, Da:

6.85

IP(EA), eV:

 -8.64(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-3-methyl-1-[2-[(Z)-N'-(N-methylanilino)carbamimidoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C/C=C(/C1=CC=CC=C1)\C(C#CC#CC2=CN=C(N2)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)OC)C(C)N=C([C@@H]4CCCN4)N

DOS

IR

Vibrations