Geometry & MOs

Info

ID:	237713
PubChem CID:	92721005
Reduced:	SN3O3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	381.114713
ΔH_f, kcal/mol:	-19.75
Dipole, Da:	5.54
IP(EA), eV:	-8.54(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2[C@H](SCC(=O)N=C2N(N1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)O

DOS

IR

Vibrations