Geometry & MOs

Info

ID:	237711
PubChem CID:	92720995
Reduced:	OSN3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	52.04
Dipole, Da:	6.08
IP(EA), eV:	-8.66(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(2-ethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H]2C3=C(NN(C3=NC(=O)CS2)C4=CC=CC=C4)C

DOS

IR

Vibrations