Geometry & MOs

Info

ID:	127402
PubChem CID:	51000792
Reduced:	S2O6N8C31H36 (1)
Stoich.:	A2B6C8D31E36 (1)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	-126.81
Dipole, Da:	11.79
IP(EA), eV:	-8.8(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2S(=O)(=O)NC3=C(SC=C3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C4=CC=CC(=C4)CNCCC5=CNN=C5

DOS

IR

Vibrations