Geometry & MOs

Info

ID:	415171
PubChem CID:	135088162
Reduced:	SN5O6C34H47 (1)
Stoich.:	AB5C6D34E47 (1)
Weight, g/mol:	377.114234
ΔH_f, kcal/mol:	-239.24
Dipole, Da:	2.74
IP(EA), eV:	-8.81(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-carbamoyl-3-ethylpiperidin-1-yl)-5-(4-chlorophenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N1)C(=O)CSC)C)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations