Geometry & MOs

Info

ID:	244817
PubChem CID:	99415033
Reduced:	O2N5C23H27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	359.085224
ΔH_f, kcal/mol:	-8.12
Dipole, Da:	4.82
IP(EA), eV:	-8.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=CC=CC=C2)C(=O)CCNC(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations