Geometry & MOs

Info

ID:	170332
PubChem CID:	75217614
Reduced:	N9O9C31H57 (1)
Stoich.:	A9B9C31D57 (1)
Weight, g/mol:	257.173942
ΔH_f, kcal/mol:	-419.06
Dipole, Da:	11.01
IP(EA), eV:	-9.66(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(2-aminoacetyl)amino]-6-oxohexyl]butanamide

Drug info:

PubChemData

Smile

CCC(=O)NCCCCC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCCN)C=O)NC(=O)C(C(C)O)NC(=O)C(C)N

DOS

IR

Vibrations