Geometry & MOs

Info

ID:	188273
PubChem CID:	77692308
Reduced:	N4O6C35H48 (1)
Stoich.:	A4B6C35D48 (1)
Weight, g/mol:	591.309707
ΔH_f, kcal/mol:	-228.48
Dipole, Da:	6.95
IP(EA), eV:	-9.29(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-[[5-(1-adamantyloxymethyl)-2-(2-bicyclo[2.2.1]hept-5-enyl)-1H-imidazole-4-carbonyl]amino]-2-methylbenzoate

Drug info:

PubChemData

Smile

CCCCCCC1COC(=O)N1C2C(N(C2=O)C(C(=O)C(C)(C)C)C(=O)OCC3=CC=CC=C3C(C)C)CCC4=NC=CC=N4

DOS

IR

Vibrations