Geometry & MOs

Info

ID:	340003
PubChem CID:	127262012
Reduced:	O3N8C21H26 (1)
Stoich.:	A3B8C21D26 (1)
Weight, g/mol:	326.231791
ΔH_f, kcal/mol:	-49.41
Dipole, Da:	4.48
IP(EA), eV:	-9.3(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)-propylamino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N(CC(=O)N)C(C2=NC=CN2)C3=NC=CN3)N

DOS

IR

Vibrations