Geometry & MOs

Info

ID:	56295
PubChem CID:	17424999
Reduced:	N2S2O3C16H18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-106.14
Dipole, Da:	4.79
IP(EA), eV:	-8.62(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[(1-benzylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(N=C1SC3CCOC3=O)SC4=C2CCCC4

DOS

IR

Vibrations