Geometry & MOs

Info

ID:	243375
PubChem CID:	99222728
Reduced:	N3O3C26H37 (1)
Stoich.:	A3B3C26D37 (1)
Weight, g/mol:	439.283492
ΔH_f, kcal/mol:	-156.92
Dipole, Da:	5.2
IP(EA), eV:	-9.21(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-amino-2-oxoethyl)-[(1S)-1-(4-propylphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@@H](C)N(CC(=O)N)C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations