Geometry & MOs

Info

ID:	339905
PubChem CID:	127261914
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	421.247775
ΔH_f, kcal/mol:	-53.95
Dipole, Da:	2.85
IP(EA), eV:	-9.28(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(N-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-4-methylanilino)hexanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)N(CC2=CC=CC=C2)[C@@H](CCCCN)C(=O)N)N

DOS

IR

Vibrations