Geometry & MOs

Info

ID:	343472
PubChem CID:	127266645
Reduced:	ClSN2O3C15H19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-97.61
Dipole, Da:	4.38
IP(EA), eV:	-9.62(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-3-oxoprop-1-ynyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CC=CC1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C

DOS

IR

Vibrations