Geometry & MOs

Info

ID:	339888
PubChem CID:	127261897
Reduced:	O2N3C9H19 (1)
Stoich.:	A2B3C9D19 (1)
Weight, g/mol:	443.28964
ΔH_f, kcal/mol:	-112.68
Dipole, Da:	1.66
IP(EA), eV:	-9.75(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-aminopropanoyl]-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N)N(C)C(=O)CN

DOS

IR

Vibrations