Geometry & MOs

Info

ID:	43751
PubChem CID:	10321737
Reduced:	SN4O5C22H22 (1)
Stoich.:	AB4C5D22E22 (1)
Weight, g/mol:	454.200491
ΔH_f, kcal/mol:	-137.77
Dipole, Da:	3.5
IP(EA), eV:	-9.1(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-phenoxyphenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)butanamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)NS(=O)(=O)CC4(C(=O)NC(=O)N4)C

DOS

IR

Vibrations