Geometry & MOs

Info

ID:	339928
PubChem CID:	127261937
Reduced:	ClO2N4C22H29 (1)
Stoich.:	AB2C4D22E29 (1)
Weight, g/mol:	400.227454
ΔH_f, kcal/mol:	-60.94
Dipole, Da:	8.61
IP(EA), eV:	-9.11(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(N-[2-[(3-fluorophenyl)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=C2)Cl

DOS

IR

Vibrations