Geometry & MOs

Info

ID:	63421
PubChem CID:	26758299
Reduced:	N3O5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	498.132154
ΔH_f, kcal/mol:	-141.48
Dipole, Da:	3.16
IP(EA), eV:	-8.35(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-nitrophenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)CN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations