Geometry & MOs

Info

ID:	243665
PubChem CID:	99233768
Reduced:	SO3N4C23H32 (1)
Stoich.:	AB3C4D23E32 (1)
Weight, g/mol:	444.219512
ΔH_f, kcal/mol:	-115.17
Dipole, Da:	2.99
IP(EA), eV:	-8.35(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=CN=C2SCC(=O)N3CCC[C@@H](C3)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations