Geometry & MOs

Info

ID:	433709
PubChem CID:	135173849
Reduced:	O4N6C23H46 (1)
Stoich.:	A4B6C23D46 (1)
Weight, g/mol:	441.219846
ΔH_f, kcal/mol:	-189.01
Dipole, Da:	4.74
IP(EA), eV:	-8.44(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2R)-2-(1-aminoethylideneamino)-3-methylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)CN1CCN(CC1)CCCCOCCNC(=O)CN2CCN(CC2)CCCOC

DOS

IR

Vibrations