Geometry & MOs

Info

ID:	128532
PubChem CID:	51048993
Reduced:	N4O5H16C19 (1)
Stoich.:	A4B5C16D19 (1)
Weight, g/mol:	341.065654
ΔH_f, kcal/mol:	-88.8
Dipole, Da:	5.2
IP(EA), eV:	-9.01(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylthiophen-2-yl)-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2=CC=C(C=C2)NC(=O)C(=O)NCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations