Geometry & MOs

Info

ID:	245213
PubChem CID:	99437908
Reduced:	SN3O5C23H31 (1)
Stoich.:	AB3C5D23E31 (1)
Weight, g/mol:	367.153206
ΔH_f, kcal/mol:	-176.53
Dipole, Da:	11.54
IP(EA), eV:	-9.35(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-methyl-2-oxochromen-4-yl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)CCCC(=O)C2=CC=C(C=C2)OC)[C@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations