Geometry & MOs

Info

ID:	324849
PubChem CID:	126678472
Reduced:	FO5N7C28H42 (1)
Stoich.:	AB5C7D28E42 (1)
Weight, g/mol:	362.184172
ΔH_f, kcal/mol:	-236.41
Dipole, Da:	4.76
IP(EA), eV:	-8.85(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)C2=CC(=CC=C2)N3CCOCC3

DOS

IR

Vibrations