Geometry & MOs

Info

ID:	122251
PubChem CID:	50799708
Reduced:	S2N4O5C23H24 (1)
Stoich.:	A2B4C5D23E24 (1)
Weight, g/mol:	418.076947
ΔH_f, kcal/mol:	-156.11
Dipole, Da:	5.52
IP(EA), eV:	-9.11(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[11-acetyl-4-(furan-2-ylmethyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NCC(=O)OC)CC4=CC=CC=C4

DOS

IR

Vibrations