Geometry & MOs

Info

ID:	322339
PubChem CID:	126669834
Reduced:	N6C29H34 (1)
Stoich.:	A6B29C34 (1)
Weight, g/mol:	507.211784
ΔH_f, kcal/mol:	178.55
Dipole, Da:	8.02
IP(EA), eV:	-8.31(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2S)-3-methyl-1-[(2S)-2-[5-(4-nitro-3-phenoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C/C(=C(\C#CC#CC1=CN=C(N1)[C@@H]2CCCN2)/N=C([C@@H]3CCCN3)N)/C=C\CCC4=CC=CC=C4

DOS

IR

Vibrations