Geometry & MOs

Info

ID:	214689
PubChem CID:	85083417
Reduced:	BrClFN4O4H23C25 (1)
Stoich.:	ABCD4E4F23G25 (1)
Weight, g/mol:	575.94137
ΔH_f, kcal/mol:	-150.59
Dipole, Da:	0.94
IP(EA), eV:	-8.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[4-chloro-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-5-(4-fluorophenyl)sulfanylthiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)Br)OC(=O)C4=CC(=CC=C4)N.Cl

DOS

IR

Vibrations