Geometry & MOs

Info

ID:	195133
PubChem CID:	78641761
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	419.113747
ΔH_f, kcal/mol:	-119.34
Dipole, Da:	5.29
IP(EA), eV:	-8.94(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-fluorophenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]-N,N-bis(prop-2-enyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations