Geometry & MOs

Info

ID:	283252
PubChem CID:	103968114
Reduced:	NO2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	310.171499
ΔH_f, kcal/mol:	-227.12
Dipole, Da:	5.22
IP(EA), eV:	-10.01(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methyl-1-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-yl]sulfanylacetic acid

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)C)NC(=O)N[C@@H](CO)C(=O)O)C

DOS

IR

Vibrations