Geometry & MOs

Info

ID:	339929
PubChem CID:	127261938
Reduced:	FO2N4C22H29 (1)
Stoich.:	AB2C4D22E29 (1)
Weight, g/mol:	412.247441
ΔH_f, kcal/mol:	-99.02
Dipole, Da:	8.26
IP(EA), eV:	-9.1(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

DOS

IR

Vibrations