Geometry & MOs

Info

ID:	171568
PubChem CID:	75394788
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	-58.08
Dipole, Da:	6.96
IP(EA), eV:	-8.55(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpropylsulfanyl)-5-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=CC=C1)NC(=O)C2=C(N(N=C2)C3CCCC3)C

DOS

IR

Vibrations