Geometry & MOs

Info

ID:	170177
PubChem CID:	75205103
Reduced:	SO2N3C25H25 (1)
Stoich.:	AB2C3D25E25 (1)
Weight, g/mol:	462.205576
ΔH_f, kcal/mol:	10.77
Dipole, Da:	6.24
IP(EA), eV:	-9.26(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations