Geometry & MOs

Info

ID:	218046
PubChem CID:	85088786
Reduced:	ClNS2O3C20H22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	424.13584
ΔH_f, kcal/mol:	-71.92
Dipole, Da:	6.11
IP(EA), eV:	-9.25(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-oxo-3-[1-(2,2,2-trifluoroethyl)-4,10-dihydro-[1]benzoxepino[4,3-c]pyrazol-7-yl]-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(=C=C(C(C)(C)C)SC3=CC=C(C=C3)Cl)C2=O)C(=O)O)C

DOS

IR

Vibrations