Geometry & MOs

Info

ID:	175099
PubChem CID:	75855761
Reduced:	O2S2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	473.126541
ΔH_f, kcal/mol:	-11.79
Dipole, Da:	4.03
IP(EA), eV:	-8.98(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=CS1)SC2=NC3=CC=CC=C3C(=O)N2CC=C

DOS

IR

Vibrations