Geometry & MOs

Info

ID:	170831
PubChem CID:	75285204
Reduced:	ClFSN3O3H15C20 (1)
Stoich.:	ABCD3E3F15G20 (1)
Weight, g/mol:	471.06557
ΔH_f, kcal/mol:	-96.28
Dipole, Da:	4.0
IP(EA), eV:	-9.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[3-(3-chlorophenyl)-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)NC(=O)CN2C3C=CSC3C(=O)N(C2=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations