Geometry & MOs

Info

ID:	144121
PubChem CID:	53316449
Reduced:	NSO2C9H17 (1)
Stoich.:	ABC2D9E17 (1)
Weight, g/mol:	481.293201
ΔH_f, kcal/mol:	-80.28
Dipole, Da:	4.12
IP(EA), eV:	-8.21(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]carbamate;hydrochloride

Drug info:

PubChemData

Smile

CC1OC(CS1=O)C2CCCN2C

DOS

IR

Vibrations