Geometry & MOs

Info

ID:	237715
PubChem CID:	92721048
Reduced:	O2S2N3H17C18 (1)
Stoich.:	A2B2C3D17E18 (1)
Weight, g/mol:	341.065654
ΔH_f, kcal/mol:	31.33
Dipole, Da:	6.87
IP(EA), eV:	-8.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-methyl-1-phenyl-4-thiophen-3-yl-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=CS4

DOS

IR

Vibrations