Geometry & MOs

Info

ID:	435255
PubChem CID:	135186694
Reduced:	N5O5C27H45 (1)
Stoich.:	A5B5C27D45 (1)
Weight, g/mol:	445.232519
ΔH_f, kcal/mol:	-276.37
Dipole, Da:	4.35
IP(EA), eV:	-9.31(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-acetylpyrrolidine-2-carbonyl)amino]-5-[4-(3-methylpyridin-2-yl)piperazin-1-yl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N1CC(=O)C[C@H]1C(=O)NC(C2CCCCC2)C(=O)NC(C3CCCCC3)C(=O)N)N

DOS

IR

Vibrations