Geometry & MOs

Info

ID:	339922
PubChem CID:	127261931
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	470.383206
ΔH_f, kcal/mol:	-50.4
Dipole, Da:	6.15
IP(EA), eV:	-8.98(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]-dodecylamino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N([C@@H](CCCCN)C(=O)N)C(=O)CNCC2=CC=CC=C2

DOS

IR

Vibrations