Geometry & MOs

Info

ID:	339925
PubChem CID:	127261934
Reduced:	FO2N4C22H29 (1)
Stoich.:	AB2C4D22E29 (1)
Weight, g/mol:	412.247441
ΔH_f, kcal/mol:	-96.91
Dipole, Da:	6.93
IP(EA), eV:	-9.04(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(N-[2-[(2-methoxyphenyl)methylamino]acetyl]-4-methylanilino)hexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N([C@@H](CCCCN)C(=O)N)C(=O)CNCC2=CC=CC=C2F

DOS

IR

Vibrations