Geometry & MOs

Info

ID:	43429
PubChem CID:	10321282
Reduced:	SCl2N2O2H18C22 (1)
Stoich.:	AB2C2D2E18F22 (1)
Weight, g/mol:	445.144927
ΔH_f, kcal/mol:	-19.2
Dipole, Da:	5.75
IP(EA), eV:	-8.44(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[[2,2-difluoro-1-(5-methylfuran-2-yl)but-3-enyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC(C1)CSC2=NC(=C(N2)C3=CC=CC=C3Cl)C4=CC=CC=C4Cl

DOS

IR

Vibrations