Geometry & MOs

Info

ID:	43441
PubChem CID:	10321302
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	445.268905
ΔH_f, kcal/mol:	-61.57
Dipole, Da:	6.03
IP(EA), eV:	-9.87(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(3S)-7-amino-1-(methylamino)-1,2-dioxoheptan-3-yl]-1-[(2S)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)C4CCCCC4

DOS

IR

Vibrations