Geometry & MOs

Info

ID:	237740
PubChem CID:	92721183
Reduced:	SN3O3C17H17 (1)
Stoich.:	AB3C3D17E17 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	21.87
Dipole, Da:	6.67
IP(EA), eV:	-8.42(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2[C@@H](SCC(=O)N=C2NN1)C3=CC(=C(C=C3)OCC#C)OC

DOS

IR

Vibrations