Geometry & MOs

Info

ID:	177928
PubChem CID:	76253043
Reduced:	SN4O4C18H18 (1)
Stoich.:	AB4C4D18E18 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	-16.18
Dipole, Da:	6.21
IP(EA), eV:	-8.62(-3.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-phenylprop-2-enoylamino)propanamide

Drug info:

PubChemData

Smile

CC(CNS(=O)(=O)C1=CC2=NC(=O)C(=O)N=C2C=C1)N(C)C3=CC=CC=C3

DOS

IR

Vibrations