Geometry & MOs

Info

ID:	160130
PubChem CID:	57304829
Reduced:	O2N3C12H29 (1)
Stoich.:	A2B3C12D29 (1)
Weight, g/mol:	574.261377
ΔH_f, kcal/mol:	-99.48
Dipole, Da:	1.91
IP(EA), eV:	-8.52(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[(4-oxo-2-propyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-3-yl)methyl]-2-propylphenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[N+](C)(C)CC(C[N+](C)(C)CCCC(=O)N)O

DOS

IR

Vibrations