Geometry & MOs

Info

ID:	243088
PubChem CID:	99215467
Reduced:	N2O3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	468.09431
ΔH_f, kcal/mol:	-98.64
Dipole, Da:	8.16
IP(EA), eV:	-8.3(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C[C@H](O2)C)CNC(=O)[C@@H]3CCCN(C3)CC4=CC=CC=C4

DOS

IR

Vibrations