Geometry & MOs

Info

ID:	237735
PubChem CID:	92721155
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-10.32
Dipole, Da:	5.48
IP(EA), eV:	-8.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(2-ethoxyphenyl)-3-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2C3=C(NNC3=NC(=O)CS2)C

DOS

IR

Vibrations