Geometry & MOs

Info

ID:	327101
PubChem CID:	126689001
Reduced:	NSO8C11H13 (1)
Stoich.:	ABC8D11E13 (1)
Weight, g/mol:	382.262028
ΔH_f, kcal/mol:	-325.79
Dipole, Da:	3.48
IP(EA), eV:	-10.03(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(1-adamantyl)-2H-imidazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(OC(=O)O1)COC(=O)SC[C@@H](C(=O)O)NC(=O)C

DOS

IR

Vibrations