Geometry & MOs

Info

ID:	36566
PubChem CID:	8008979
Reduced:	N3O5C19H28 (1)
Stoich.:	A3B5C19D28 (1)
Weight, g/mol:	379.210721
ΔH_f, kcal/mol:	-250.14
Dipole, Da:	8.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761560
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@H](CCC(=O)N)C(=O)[O-])NC(=O)C1C2CC3CC(C2)CC1C3

DOS

IR

Vibrations