Geometry & MOs

Info

ID:	172292
PubChem CID:	75490728
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	464.118812
ΔH_f, kcal/mol:	-56.14
Dipole, Da:	4.06
IP(EA), eV:	-8.8(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[3,7-dioxo-1-(thian-4-yl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-methoxyphenoxy]acetamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=C(C=CC(=C2)NC(=O)CCC3=CC4=C(C=C3)OCC4)N=N1

DOS

IR

Vibrations