Geometry & MOs

Info

ID:	243117
PubChem CID:	99215726
Reduced:	BrO2N3C21H32 (1)
Stoich.:	AB2C3D21E32 (1)
Weight, g/mol:	446.198777
ΔH_f, kcal/mol:	-98.37
Dipole, Da:	3.05
IP(EA), eV:	-8.61(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCN1CCN(CC1)C(=O)[C@@H](C(C)C)NC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations