Geometry & MOs

Info

ID:	339924
PubChem CID:	127261933
Reduced:	ClO2N4C22H29 (1)
Stoich.:	AB2C4D22E29 (1)
Weight, g/mol:	400.227454
ΔH_f, kcal/mol:	-59.95
Dipole, Da:	5.93
IP(EA), eV:	-9.0(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(N-[2-[(2-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=C2Cl

DOS

IR

Vibrations