Geometry & MOs

Info

ID:	310392
PubChem CID:	126579706
Reduced:	S2N9O9C37H55 (1)
Stoich.:	A2B9C9D37E55 (1)
Weight, g/mol:	331.019368
ΔH_f, kcal/mol:	-389.23
Dipole, Da:	7.67
IP(EA), eV:	-8.28(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-chloro-3-(fluoromethylsulfanyl)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide

Drug info:

PubChemData

Smile

CCN(C)CCCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NC(CSSCCC(=O)N1)C(=O)N)C)CCC2=CNC3=CC=CC=C32)C)CC(=O)O

DOS

IR

Vibrations