Geometry & MOs

Info

ID:	339906
PubChem CID:	127261915
Reduced:	O2N5C24H31 (1)
Stoich.:	A2B5C24D31 (1)
Weight, g/mol:	408.252526
ΔH_f, kcal/mol:	-38.38
Dipole, Da:	2.8
IP(EA), eV:	-8.64(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(N-[2-(2,3-dihydro-1H-inden-2-ylamino)acetyl]-4-methylanilino)hexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N([C@@H](CCCCN)C(=O)N)C(=O)[C@H](CC2=CNC3=CC=CC=C32)N

DOS

IR

Vibrations