Geometry & MOs

Info

ID:	180779
PubChem CID:	76684264
Reduced:	NC15H21 (1)
Stoich.:	AB15C21 (1)
Weight, g/mol:	444.23727
ΔH_f, kcal/mol:	-6.49
Dipole, Da:	1.6
IP(EA), eV:	-8.7(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-5-[[3-[(1S)-1-amino-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-1-adamantyl]oxy]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1(CCC2=C1C3=C(CCNCC3)C=C2)C

DOS

IR

Vibrations