Geometry & MOs

Info

ID:	36564
PubChem CID:	8008963
Reduced:	N2O4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	379.210721
ΔH_f, kcal/mol:	-172.8
Dipole, Da:	3.71
IP(EA), eV:	-8.34(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(2S)-2-(adamantane-2-carbonylamino)propanoyl]amino]-5-amino-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CN[C@@H](CC(C)C)C(=O)OC

DOS

IR

Vibrations