Geometry & MOs

Info

ID:	177895
PubChem CID:	76249733
Reduced:	SN4O6C22H22 (1)
Stoich.:	AB4C6D22E22 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-86.64
Dipole, Da:	3.99
IP(EA), eV:	-9.46(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-[1-(furan-2-yl)propan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC3C(=NC(=O)C=C3C(=O)NC4=CC=C(C=C4)CC(=O)N)C=C2

DOS

IR

Vibrations