Geometry & MOs

Info

ID:	243664
PubChem CID:	99233766
Reduced:	O3N5C28H37 (1)
Stoich.:	A3B5C28D37 (1)
Weight, g/mol:	444.219512
ΔH_f, kcal/mol:	-97.52
Dipole, Da:	6.82
IP(EA), eV:	-9.12(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)N4CCC[C@@H](C4)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations