Geometry & MOs

Info

ID:	320173
PubChem CID:	126658551
Reduced:	N3O5C22H35 (1)
Stoich.:	A3B5C22D35 (1)
Weight, g/mol:	421.257671
ΔH_f, kcal/mol:	-239.14
Dipole, Da:	4.52
IP(EA), eV:	-9.67(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[(2S)-4,4-dimethyl-3-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C(C)(C)C)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN1C(=O)C=CC1=O

DOS

IR

Vibrations