Geometry & MOs

Info

ID:	184870
PubChem CID:	77221669
Reduced:	N3O6C26H37 (1)
Stoich.:	A3B6C26D37 (1)
Weight, g/mol:	346.121195
ΔH_f, kcal/mol:	-236.59
Dipole, Da:	5.47
IP(EA), eV:	-9.52(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carbamoylamino)-N-piperidin-3-yl-5-pyrimidin-5-ylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)N(CCN1C(=O)OCC2=CC=CC=C2)C(CCC(=O)N3CCC4(CC4)C(C3)O)COC

DOS

IR

Vibrations