Geometry & MOs

Info

ID:	309373
PubChem CID:	126545775
Reduced:	FCl2O2N6C26H29 (1)
Stoich.:	AB2C2D6E26F29 (1)
Weight, g/mol:	432.183127
ΔH_f, kcal/mol:	-56.92
Dipole, Da:	3.95
IP(EA), eV:	-8.65(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[pyridin-3-yl-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]sulfonylamino]methyl]benzoate

Drug info:

PubChemData

Smile

C1CC[C@@H](C2=CC(=CC=C2)N[C@H](C(=O)NCC1)CCN)NC(=O)C3=C(N(N=C3)C4=C(C(=CC=C4)Cl)F)Cl

DOS

IR

Vibrations