Geometry & MOs

Info

ID:	183848
PubChem CID:	77080297
Reduced:	SO3N4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	297.122575
ΔH_f, kcal/mol:	-116.53
Dipole, Da:	2.6
IP(EA), eV:	-9.16(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CCNC(=O)CC2C(=O)NC(=O)N2)C

DOS

IR

Vibrations