Geometry & MOs

Info

ID:	243790
PubChem CID:	99239624
Reduced:	SN2O6C22H28 (1)
Stoich.:	AB2C6D22E28 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-217.22
Dipole, Da:	7.78
IP(EA), eV:	-9.27(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyclopropylmethoxymethyl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2S(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations